4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol

C18H30N2O — CID 79113198

IUPAC4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol
SMILESCCCN(C1CCC(N)CC1)C(CC)c1ccc(O)cc1
InChIInChI=1S/C18H30N2O/c1-3-13-20(16-9-7-15(19)8-10-16)18(4-2)14-5-11-17(21)12-6-14/h5-6,11-12,15-16,18,21H,3-4,7-10,13,19H2,1-2H3
InChIKeyWXUKHJWOZSPUBK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.83
Rot. Bonds6

About 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol

4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol (PubChem CID 79113198) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol
PubChem CID79113198
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol
SMILESCCCN(C1CCC(N)CC1)C(CC)c1ccc(O)cc1
InChIInChI=1S/C18H30N2O/c1-3-13-20(16-9-7-15(19)8-10-16)18(4-2)14-5-11-17(21)12-6-14/h5-6,11-12,15-16,18,21H,3-4,7-10,13,19H2,1-2H3
InChIKeyWXUKHJWOZSPUBK-UHFFFAOYSA-N
XLogP3.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
4-[1-[ethyl(piperidin-3-yl)amino]propyl]phenol
CID 63643806
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol?
The IUPAC name of 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol (CID 79113198) is 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol is CCCN(C1CCC(N)CC1)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol?
The InChIKey is WXUKHJWOZSPUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-13-20(16-9-7-15(19)8-10-16)18(4-2)14-5-11-17(21)12-6-14/h5-6,11-12,15-16,18,21H,3-4,7-10,13,19H2,1-2H3.
What are the key properties of 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol?
4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-aminocyclohexyl)-propylamino]propyl]phenol is sourced from PubChem (CID 79113198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).