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

C14H32N2 — CID 62623521

IUPAC1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine
SMILESCCCN(CC)CCC(NCC)C(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-11-16(9-3)12-10-13(15-8-2)14(4,5)6/h13,15H,7-12H2,1-6H3
InChIKeyPMFWBHSYLPRYRH-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds8

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

1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine (PubChem CID 62623521) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine
PubChem CID62623521
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine
SMILESCCCN(CC)CCC(NCC)C(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-11-16(9-3)12-10-13(15-8-2)14(4,5)6/h13,15H,7-12H2,1-6H3
InChIKeyPMFWBHSYLPRYRH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 63494212
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
1-N-ethyl-1-N-propylbutane-1,3-diamine
CID 43268683
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine (CID 62623521) is 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine is CCCN(CC)CCC(NCC)C(C)(C)C.
What is the InChIKey of 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
The InChIKey is PMFWBHSYLPRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-11-16(9-3)12-10-13(15-8-2)14(4,5)6/h13,15H,7-12H2,1-6H3.
What are the key properties of 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine is sourced from PubChem (CID 62623521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).