1-N,4-N-dimethyl-3-propylpentane-1,4-diamine

C10H24N2 — CID 143945019

IUPAC1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
SMILESCCCC(CCNC)C(C)NC
InChIInChI=1S/C10H24N2/c1-5-6-10(7-8-11-3)9(2)12-4/h9-12H,5-8H2,1-4H3
InChIKeyOFKQDRPLMCMSBB-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.62
Rot. Bonds7

About 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine

1-N,4-N-dimethyl-3-propylpentane-1,4-diamine (PubChem CID 143945019) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
PubChem CID143945019
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
SMILESCCCC(CCNC)C(C)NC
InChIInChI=1S/C10H24N2/c1-5-6-10(7-8-11-3)9(2)12-4/h9-12H,5-8H2,1-4H3
InChIKeyOFKQDRPLMCMSBB-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-propylheptan-2-amine
CID 123465909
N,3,6-trimethylnonan-1-amine
CID 139316935
N-methyl-4-propan-2-ylheptan-1-amine
CID 139333212
N,3-dimethylpentan-1-amine;ethane
CID 142089517
N-methyl-3-propylsulfanylbutan-1-amine
CID 154950911
N,3-dimethylnonan-1-amine
CID 81019354
N,12-dimethylpentadecan-1-amine
CID 174486923
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
N-methylpentan-2-amine;hydrochloride
CID 42919600
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N-methyl-3-(methyliminomethyl)pentan-1-amine
CID 143556278

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine (CID 143945019) is 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine is CCCC(CCNC)C(C)NC.
What is the InChIKey of 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine?
The InChIKey is OFKQDRPLMCMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-6-10(7-8-11-3)9(2)12-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine?
1-N,4-N-dimethyl-3-propylpentane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-3-propylpentane-1,4-diamine is sourced from PubChem (CID 143945019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).