4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine

C16H35N3 — CID 102999190

IUPAC4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(CC)CCCN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-12-17-15-8-10-16(11-9-15)19(6-2)14-7-13-18(3)4/h15-17H,5-14H2,1-4H3
InChIKeyMBLRJVQLMTUPHA-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 102999190) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID102999190
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(CC)CCCN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-12-17-15-8-10-16(11-9-15)19(6-2)14-7-13-18(3)4/h15-17H,5-14H2,1-4H3
InChIKeyMBLRJVQLMTUPHA-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 102992496
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 114763113
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123181
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine (CID 102999190) is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(CC)CCCN(C)C)CC1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is MBLRJVQLMTUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-12-17-15-8-10-16(11-9-15)19(6-2)14-7-13-18(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine?
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 102999190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).