6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine

C17H38N2 — CID 87338569

IUPAC6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine
SMILESCC(C)CN(CCCCCC(C)N(C)C)CC(C)C
InChIInChI=1S/C17H38N2/c1-15(2)13-19(14-16(3)4)12-10-8-9-11-17(5)18(6)7/h15-17H,8-14H2,1-7H3
InChIKeyQOMOIKOJUFLFGJ-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.11
Rot. Bonds11

About 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine

6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine (PubChem CID 87338569) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine
PubChem CID87338569
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine
SMILESCC(C)CN(CCCCCC(C)N(C)C)CC(C)C
InChIInChI=1S/C17H38N2/c1-15(2)13-19(14-16(3)4)12-10-8-9-11-17(5)18(6)7/h15-17H,8-14H2,1-7H3
InChIKeyQOMOIKOJUFLFGJ-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
CID 87965126
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
ethane;N,N,5-trimethylhexan-2-amine
CID 144654908
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine (CID 87338569) is 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine is CC(C)CN(CCCCCC(C)N(C)C)CC(C)C.
What is the InChIKey of 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine?
The InChIKey is QOMOIKOJUFLFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-15(2)13-19(14-16(3)4)12-10-8-9-11-17(5)18(6)7/h15-17H,8-14H2,1-7H3.
What are the key properties of 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine?
6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine is sourced from PubChem (CID 87338569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).