N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine

C17H28N2 — CID 82927051

IUPACN-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
SMILESCCCN(c1ccc(CN)cc1)C1CCCCCC1
InChIInChI=1S/C17H28N2/c1-2-13-19(16-7-5-3-4-6-8-16)17-11-9-15(14-18)10-12-17/h9-12,16H,2-8,13-14,18H2,1H3
InChIKeySHVOIFYUPHRMEH-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.08
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine

N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine (PubChem CID 82927051) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
PubChem CID82927051
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
SMILESCCCN(c1ccc(CN)cc1)C1CCCCCC1
InChIInChI=1S/C17H28N2/c1-2-13-19(16-7-5-3-4-6-8-16)17-11-9-15(14-18)10-12-17/h9-12,16H,2-8,13-14,18H2,1H3
InChIKeySHVOIFYUPHRMEH-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[cyclohexyl(propyl)amino]phenol
CID 57283531
4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline
CID 63862471
4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
CID 43276221
3-[cyclohexyl(propyl)amino]phenol
CID 57226980
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
CID 62228812
5-(aminomethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 43269938
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494006
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine (CID 82927051) is N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine is CCCN(c1ccc(CN)cc1)C1CCCCCC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine?
The InChIKey is SHVOIFYUPHRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-13-19(16-7-5-3-4-6-8-16)17-11-9-15(14-18)10-12-17/h9-12,16H,2-8,13-14,18H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine?
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine has a molecular weight of 260.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine is sourced from PubChem (CID 82927051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).