6-imino-3,3,7-trimethyloctane-1,5-diamine

C11H25N3 — CID 154999303

IUPAC6-imino-3,3,7-trimethyloctane-1,5-diamine
SMILES[H]/N=C(\C(C)C)C(N)CC(C)(C)CCN
InChIInChI=1S/C11H25N3/c1-8(2)10(14)9(13)7-11(3,4)5-6-12/h8-9,14H,5-7,12-13H2,1-4H3/b14-10+
InChIKeyYSKVKTACVVAOTI-GXDHUFHOSA-N
MW199.34 g/mol
LogP1.75
Rot. Bonds6

About 6-imino-3,3,7-trimethyloctane-1,5-diamine

6-imino-3,3,7-trimethyloctane-1,5-diamine (PubChem CID 154999303) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-imino-3,3,7-trimethyloctane-1,5-diamine.

Molecular Properties

Compound Name6-imino-3,3,7-trimethyloctane-1,5-diamine
PubChem CID154999303
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name6-imino-3,3,7-trimethyloctane-1,5-diamine
SMILES[H]/N=C(\C(C)C)C(N)CC(C)(C)CCN
InChIInChI=1S/C11H25N3/c1-8(2)10(14)9(13)7-11(3,4)5-6-12/h8-9,14H,5-7,12-13H2,1-4H3/b14-10+
InChIKeyYSKVKTACVVAOTI-GXDHUFHOSA-N
XLogP1.75
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-imino-3,3,7-trimethyloctane-1,5-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

3,3,5,8-tetramethylnonan-1-amine
CID 167234485
1-amino-5-imino-6-methylheptan-4-ol
CID 89424592
(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
CID 88890970
4-imino-3,5-dimethylhexan-2-ol
CID 158629570
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine
CID 159476116
4-amino-2,2-dimethylbutane-1-sulfonic acid
CID 155264167
4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide
CID 166738649
1-amino-3,3,10-trimethylundecan-6-one
CID 116574855
5-amino-7-methyl-6-oxooctanimidamide
CID 159228449
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
3,3,5-trimethylhexane-1,4-diamine
CID 116934431

Frequently Asked Questions

What is the IUPAC name of 6-imino-3,3,7-trimethyloctane-1,5-diamine?
The IUPAC name of 6-imino-3,3,7-trimethyloctane-1,5-diamine (CID 154999303) is 6-imino-3,3,7-trimethyloctane-1,5-diamine.
What is the SMILES notation for 6-imino-3,3,7-trimethyloctane-1,5-diamine?
The canonical SMILES for 6-imino-3,3,7-trimethyloctane-1,5-diamine is [H]/N=C(\C(C)C)C(N)CC(C)(C)CCN.
What is the InChIKey of 6-imino-3,3,7-trimethyloctane-1,5-diamine?
The InChIKey is YSKVKTACVVAOTI-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H25N3/c1-8(2)10(14)9(13)7-11(3,4)5-6-12/h8-9,14H,5-7,12-13H2,1-4H3/b14-10+.
What are the key properties of 6-imino-3,3,7-trimethyloctane-1,5-diamine?
6-imino-3,3,7-trimethyloctane-1,5-diamine has a molecular weight of 199.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3,3,7-trimethyloctane-1,5-diamine is sourced from PubChem (CID 154999303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).