N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine

C18H30N2 — CID 82933701

IUPACN-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
SMILESCCCNC(C)c1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-3-13-19-15(2)16-9-8-12-18(14-16)20-17-10-6-4-5-7-11-17/h8-9,12,14-15,17,19-20H,3-7,10-11,13H2,1-2H3
InChIKeyOGYLOWDQNLENOH-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.88
Rot. Bonds6

About N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine

N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine (PubChem CID 82933701) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
PubChem CID82933701
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
SMILESCCCNC(C)c1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-3-13-19-15(2)16-9-8-12-18(14-16)20-17-10-6-4-5-7-11-17/h8-9,12,14-15,17,19-20H,3-7,10-11,13H2,1-2H3
InChIKeyOGYLOWDQNLENOH-UHFFFAOYSA-N
XLogP4.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
N-cyclohexyl-3-ethylaniline
CID 11009024
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
The IUPAC name of N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine (CID 82933701) is N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine.
What is the SMILES notation for N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
The canonical SMILES for N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine is CCCNC(C)c1cccc(NC2CCCCCC2)c1.
What is the InChIKey of N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
The InChIKey is OGYLOWDQNLENOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-13-19-15(2)16-9-8-12-18(14-16)20-17-10-6-4-5-7-11-17/h8-9,12,14-15,17,19-20H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine has a molecular weight of 274.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine is sourced from PubChem (CID 82933701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).