1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine

C15H34N2 — CID 107896692

IUPAC1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)C(C)CCC
InChIInChI=1S/C15H34N2/c1-6-10-14(5)15(16-12-7-2)11-13-17(8-3)9-4/h14-16H,6-13H2,1-5H3
InChIKeyUCJRUQOWMGDIEV-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds11

About 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine

1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine (PubChem CID 107896692) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
PubChem CID107896692
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)C(C)CCC
InChIInChI=1S/C15H34N2/c1-6-10-14(5)15(16-12-7-2)11-13-17(8-3)9-4/h14-16H,6-13H2,1-5H3
InChIKeyUCJRUQOWMGDIEV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-propyldecan-5-amine
CID 115837654
3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
CID 107869654
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
CID 102992527
6-methyl-N-propylnon-2-yn-5-amine
CID 115819999
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
CID 115705393
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980
(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
CID 170444896
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
N-(1-chloro-4-methylpentan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 106353902

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine (CID 107896692) is 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine is CCCNC(CCN(CC)CC)C(C)CCC.
What is the InChIKey of 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine?
The InChIKey is UCJRUQOWMGDIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-10-14(5)15(16-12-7-2)11-13-17(8-3)9-4/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine?
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine is sourced from PubChem (CID 107896692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).