(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine

C14H32N2 — CID 170444896

IUPAC(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
SMILESCCCCC(C)[C@H](CN(C)CC)NCCC
InChIInChI=1S/C14H32N2/c1-6-9-10-13(4)14(15-11-7-2)12-16(5)8-3/h13-15H,6-12H2,1-5H3/t13?,14-/m0/s1
InChIKeyDBTSGVYDEYPJEG-KZUDCZAMSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds10

About (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine

(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine (PubChem CID 170444896) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
PubChem CID170444896
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
SMILESCCCCC(C)[C@H](CN(C)CC)NCCC
InChIInChI=1S/C14H32N2/c1-6-9-10-13(4)14(15-11-7-2)12-16(5)8-3/h13-15H,6-12H2,1-5H3/t13?,14-/m0/s1
InChIKeyDBTSGVYDEYPJEG-KZUDCZAMSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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

4-methyl-N-propyldecan-5-amine
CID 115837654
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine
CID 144672092
3,7-dimethyl-N-propyloctan-2-amine
CID 83158474
3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
CID 107869654
3-methyl-N-propylhexadecan-4-amine
CID 63717053
9-methyl-N-propyldecan-5-amine
CID 83162126
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
N-butyl-3-methylhexan-2-amine
CID 123937982

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine?
The IUPAC name of (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine (CID 170444896) is (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine?
The canonical SMILES for (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine is CCCCC(C)[C@H](CN(C)CC)NCCC.
What is the InChIKey of (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine?
The InChIKey is DBTSGVYDEYPJEG-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-9-10-13(4)14(15-11-7-2)12-16(5)8-3/h13-15H,6-12H2,1-5H3/t13?,14-/m0/s1.
What are the key properties of (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine?
(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine is sourced from PubChem (CID 170444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).