5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine

C20H45N3 — CID 139835101

IUPAC5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine
SMILESCC(C)CC(N)(CC(C)C)C(CC(C)C)(CC(C)C)NCCN
InChIInChI=1S/C20H45N3/c1-15(2)11-19(22,12-16(3)4)20(13-17(5)6,14-18(7)8)23-10-9-21/h15-18,23H,9-14,21-22H2,1-8H3
InChIKeyJETFJPBHQVHARW-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.16
Rot. Bonds12

About 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine

5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine (PubChem CID 139835101) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine
PubChem CID139835101
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Name5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine
SMILESCC(C)CC(N)(CC(C)C)C(CC(C)C)(CC(C)C)NCCN
InChIInChI=1S/C20H45N3/c1-15(2)11-19(22,12-16(3)4)20(13-17(5)6,14-18(7)8)23-10-9-21/h15-18,23H,9-14,21-22H2,1-8H3
InChIKeyJETFJPBHQVHARW-UHFFFAOYSA-N
XLogP4.16
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine 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

3-N'-(2-aminoethyl)pentane-3,3-diamine
CID 174433772
1-(2-aminoethylamino)propan-2-ol;4,5-diamino-4,5-bis(2-hydroxypropyl)octane-2,7-diol
CID 88740283
2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
CID 62539724
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
2-(2,2-dimethylhydrazinyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
CID 114867859
N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
CID 59969220
O-(3,3,5-trimethylhexan-2-yl)hydroxylamine
CID 59956878
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730
2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867907
1-(2-aminoethylamino)-1-methoxyethanol
CID 151770425
2-(2-aminoethylamino)-2-methylpropanedinitrile
CID 139298489
3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine
CID 166682412

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine (CID 139835101) is 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine is CC(C)CC(N)(CC(C)C)C(CC(C)C)(CC(C)C)NCCN.
What is the InChIKey of 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine?
The InChIKey is JETFJPBHQVHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-15(2)11-19(22,12-16(3)4)20(13-17(5)6,14-18(7)8)23-10-9-21/h15-18,23H,9-14,21-22H2,1-8H3.
What are the key properties of 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine?
5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine has a molecular weight of 327.60 g/mol, XLogP of 4.16, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine is sourced from PubChem (CID 139835101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).