3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol

C14H30N2O — CID 114763598

IUPAC3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
SMILESCCCNC1CCC(N(CC)CCCO)CC1
InChIInChI=1S/C14H30N2O/c1-3-10-15-13-6-8-14(9-7-13)16(4-2)11-5-12-17/h13-15,17H,3-12H2,1-2H3
InChIKeyBDKNECYHBFPKRZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds8

About 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol

3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol (PubChem CID 114763598) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
PubChem CID114763598
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
SMILESCCCNC1CCC(N(CC)CCCO)CC1
InChIInChI=1S/C14H30N2O/c1-3-10-15-13-6-8-14(9-7-13)16(4-2)11-5-12-17/h13-15,17H,3-12H2,1-2H3
InChIKeyBDKNECYHBFPKRZ-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 102992496
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 114763113
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol
CID 114763071
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol (CID 114763598) is 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol is CCCNC1CCC(N(CC)CCCO)CC1.
What is the InChIKey of 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol?
The InChIKey is BDKNECYHBFPKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-10-15-13-6-8-14(9-7-13)16(4-2)11-5-12-17/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol?
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 114763598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).