4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine

C14H32N2 — CID 64706147

IUPAC4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(CC)CC(C)C
InChIInChI=1S/C14H32N2/c1-7-9-15-13(5)10-14(6)16(8-2)11-12(3)4/h12-15H,7-11H2,1-6H3
InChIKeyJJKTUGAVUSOAMX-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine

4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine (PubChem CID 64706147) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine
PubChem CID64706147
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(CC)CC(C)C
InChIInChI=1S/C14H32N2/c1-7-9-15-13(5)10-14(6)16(8-2)11-12(3)4/h12-15H,7-11H2,1-6H3
InChIKeyJJKTUGAVUSOAMX-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
CID 64705964
4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
CID 64708204
N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62041625
2-(diethylamino)-N-methyl-2-(propylamino)acetamide
CID 173048616
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-cyclopropyl-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63913678
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine (CID 64706147) is 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine is CCCNC(C)CC(C)N(CC)CC(C)C.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine?
The InChIKey is JJKTUGAVUSOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-15-13(5)10-14(6)16(8-2)11-12(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine?
4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine is sourced from PubChem (CID 64706147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).