2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide

C18H38N6O — CID 58264356

IUPAC2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide
SMILES[H]/N=C(\C)CCCCCC(C)(N=C(N)N)C(=O)NCNC(C)(CC)CC
InChIInChI=1S/C18H38N6O/c1-6-17(4,7-2)23-13-22-15(25)18(5,24-16(20)21)12-10-8-9-11-14(3)19/h19,23H,6-13H2,1-5H3,(H,22,25)(H4,20,21,24)/b19-14+
InChIKeyHYNMFFXCJVTZAT-XMHGGMMESA-N
MW354.54 g/mol
LogP2.25
Rot. Bonds13

About 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide

2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide (PubChem CID 58264356) has the molecular formula C18H38N6O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide
PubChem CID58264356
Molecular FormulaC18H38N6O
Molecular Weight354.54 g/mol
Exact Mass354.31
IUPAC Name2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide
SMILES[H]/N=C(\C)CCCCCC(C)(N=C(N)N)C(=O)NCNC(C)(CC)CC
InChIInChI=1S/C18H38N6O/c1-6-17(4,7-2)23-13-22-15(25)18(5,24-16(20)21)12-10-8-9-11-14(3)19/h19,23H,6-13H2,1-5H3,(H,22,25)(H4,20,21,24)/b19-14+
InChIKeyHYNMFFXCJVTZAT-XMHGGMMESA-N
XLogP2.25
TPSA129.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-iminooctan-1-amine
CID 174433043
heptan-2-imine;propane;tungsten
CID 57359574
8-methylnon-8-en-2-imine
CID 163908836
2-amino-2-(diaminomethylideneamino)butanamide
CID 155675349
4-imino-N-methylpentan-1-amine
CID 146836527
8-methyl-7-propan-2-ylnonan-2-imine
CID 58164973
7-imino-2-methyloctanoic acid
CID 58165156
4,11-diimino-N-methyldodecan-1-amine
CID 159770178
3-methyl-3-(methylamino)pentanamide
CID 65236243
2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate
CID 123884198
2-(2-azidoethylamino)-2-methyloctanamide
CID 66188674
(2S,3R,4S,5R)-N-tert-butyl-N'-[2-[[1,8-diamino-8-[2-(3-methylpentan-3-ylamino)ethylimino]octylidene]amino]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 90382243

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide?
The IUPAC name of 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide (CID 58264356) is 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide?
The canonical SMILES for 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide is [H]/N=C(\C)CCCCCC(C)(N=C(N)N)C(=O)NCNC(C)(CC)CC.
What is the InChIKey of 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide?
The InChIKey is HYNMFFXCJVTZAT-XMHGGMMESA-N. The full InChI is InChI=1S/C18H38N6O/c1-6-17(4,7-2)23-13-22-15(25)18(5,24-16(20)21)12-10-8-9-11-14(3)19/h19,23H,6-13H2,1-5H3,(H,22,25)(H4,20,21,24)/b19-14+.
What are the key properties of 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide?
2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide has a molecular weight of 354.54 g/mol, XLogP of 2.25, 13 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-8-imino-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]nonanamide is sourced from PubChem (CID 58264356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).