6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine

C16H36N2 — CID 173351469

IUPAC6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine
SMILESCCNC(CC)CCCCCN(C(C)C)C(C)C
InChIInChI=1S/C16H36N2/c1-7-16(17-8-2)12-10-9-11-13-18(14(3)4)15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyPJWCLPGVOVMDDB-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.05
Rot. Bonds11

About 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine

6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine (PubChem CID 173351469) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine
PubChem CID173351469
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine
SMILESCCNC(CC)CCCCCN(C(C)C)C(C)C
InChIInChI=1S/C16H36N2/c1-7-16(17-8-2)12-10-9-11-13-18(14(3)4)15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyPJWCLPGVOVMDDB-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylnonan-3-amine
CID 60996683
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
N,7-diethylnonan-3-amine
CID 82925508
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
N-ethyltetradecan-7-amine
CID 87847195
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552
6-butan-2-ylsulfanyl-N-ethylhexan-3-amine
CID 106808180
1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304
N-ethylhexadecan-4-amine
CID 63413885
N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
CID 91807307
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine?
The IUPAC name of 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine (CID 173351469) is 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine.
What is the SMILES notation for 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine?
The canonical SMILES for 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine is CCNC(CC)CCCCCN(C(C)C)C(C)C.
What is the InChIKey of 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine?
The InChIKey is PJWCLPGVOVMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-16(17-8-2)12-10-9-11-13-18(14(3)4)15(5)6/h14-17H,7-13H2,1-6H3.
What are the key properties of 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine?
6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine is sourced from PubChem (CID 173351469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).