1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine

C15H34N2 — CID 170117708

IUPAC1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
SMILESCCC(C)CN(CC)C(CC)CCN(C)CC
InChIInChI=1S/C15H34N2/c1-7-14(5)13-17(10-4)15(8-2)11-12-16(6)9-3/h14-15H,7-13H2,1-6H3
InChIKeyKRBPZJYTJYVQDI-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.47
Rot. Bonds10

About 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine

1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine (PubChem CID 170117708) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
PubChem CID170117708
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
SMILESCCC(C)CN(CC)C(CC)CCN(C)CC
InChIInChI=1S/C15H34N2/c1-7-14(5)13-17(10-4)15(8-2)11-12-16(6)9-3/h14-15H,7-13H2,1-6H3
InChIKeyKRBPZJYTJYVQDI-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N,N-diethyl-6-methyloctan-3-amine;hydrofluoride
CID 174901011
2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
CID 170265960
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine (CID 170117708) is 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine is CCC(C)CN(CC)C(CC)CCN(C)CC.
What is the InChIKey of 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine?
The InChIKey is KRBPZJYTJYVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-14(5)13-17(10-4)15(8-2)11-12-16(6)9-3/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine?
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine is sourced from PubChem (CID 170117708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).