3,5-diethyl-N-propylheptan-2-amine

C14H31N — CID 82928149

IUPAC3,5-diethyl-N-propylheptan-2-amine
SMILESCCCNC(C)C(CC)CC(CC)CC
InChIInChI=1S/C14H31N/c1-6-10-15-12(5)14(9-4)11-13(7-2)8-3/h12-15H,6-11H2,1-5H3
InChIKeyDMGOMEQVFYXKJI-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.23
Rot. Bonds9

About 3,5-diethyl-N-propylheptan-2-amine

3,5-diethyl-N-propylheptan-2-amine (PubChem CID 82928149) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3,5-diethyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name3,5-diethyl-N-propylheptan-2-amine
PubChem CID82928149
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3,5-diethyl-N-propylheptan-2-amine
SMILESCCCNC(C)C(CC)CC(CC)CC
InChIInChI=1S/C14H31N/c1-6-10-15-12(5)14(9-4)11-13(7-2)8-3/h12-15H,6-11H2,1-5H3
InChIKeyDMGOMEQVFYXKJI-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diethyl-N-methylheptan-2-amine
CID 82928045
3-ethyl-N-propyldodecan-2-amine
CID 63400125
3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
6-ethyl-2,2-dimethyl-N-propyloctan-4-amine
CID 82923150
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
CID 82923156
1-ethoxy-4-ethyl-N-propylhexan-2-amine
CID 82922255
N,3-diethyl-5-methylhexan-2-amine
CID 54129064
5-ethyl-2,2-dimethyl-N-propylheptan-3-amine
CID 82923495
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
6-ethyl-2-methyl-4-pentan-3-yloctane
CID 123821034
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-propylheptan-2-amine?
The IUPAC name of 3,5-diethyl-N-propylheptan-2-amine (CID 82928149) is 3,5-diethyl-N-propylheptan-2-amine.
What is the SMILES notation for 3,5-diethyl-N-propylheptan-2-amine?
The canonical SMILES for 3,5-diethyl-N-propylheptan-2-amine is CCCNC(C)C(CC)CC(CC)CC.
What is the InChIKey of 3,5-diethyl-N-propylheptan-2-amine?
The InChIKey is DMGOMEQVFYXKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-10-15-12(5)14(9-4)11-13(7-2)8-3/h12-15H,6-11H2,1-5H3.
What are the key properties of 3,5-diethyl-N-propylheptan-2-amine?
3,5-diethyl-N-propylheptan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-propylheptan-2-amine is sourced from PubChem (CID 82928149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).