1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine

C18H40N2 — CID 63453736

IUPAC1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine
SMILESCCCCCC(CCCCC)NC(CN(C)C)C(C)C
InChIInChI=1S/C18H40N2/c1-7-9-11-13-17(14-12-10-8-2)19-18(16(3)4)15-20(5)6/h16-19H,7-15H2,1-6H3
InChIKeyAANZYRLRYPEEBJ-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.69
Rot. Bonds13

About 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine (PubChem CID 63453736) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine
PubChem CID63453736
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine
SMILESCCCCCC(CCCCC)NC(CN(C)C)C(C)C
InChIInChI=1S/C18H40N2/c1-7-9-11-13-17(14-12-10-8-2)19-18(16(3)4)15-20(5)6/h16-19H,7-15H2,1-6H3
InChIKeyAANZYRLRYPEEBJ-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.69
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

2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
CID 79089113
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yltridecan-5-amine
CID 79413155
N-propan-2-yldodecan-5-amine
CID 79412905
N,N,2-trimethyltridecan-1-amine
CID 90750057
1-(decan-5-ylamino)ethanol
CID 174223267
N-nonan-5-ylnonan-5-amine
CID 86205180
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine (CID 63453736) is 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine is CCCCCC(CCCCC)NC(CN(C)C)C(C)C.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine?
The InChIKey is AANZYRLRYPEEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-7-9-11-13-17(14-12-10-8-2)19-18(16(3)4)15-20(5)6/h16-19H,7-15H2,1-6H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine is sourced from PubChem (CID 63453736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).