N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine

C16H26N2 — CID 82929453

IUPACN-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
SMILESCCN(Cc1ccc(N)cc1)C1CCCCCC1
InChIInChI=1S/C16H26N2/c1-2-18(16-7-5-3-4-6-8-16)13-14-9-11-15(17)12-10-14/h9-12,16H,2-8,13,17H2,1H3
InChIKeyBWPPIPXBQKULCS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.81
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine

N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine (PubChem CID 82929453) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
PubChem CID82929453
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
SMILESCCN(Cc1ccc(N)cc1)C1CCCCCC1
InChIInChI=1S/C16H26N2/c1-2-18(16-7-5-3-4-6-8-16)13-14-9-11-15(17)12-10-14/h9-12,16H,2-8,13,17H2,1H3
InChIKeyBWPPIPXBQKULCS-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine (CID 82929453) is N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine is CCN(Cc1ccc(N)cc1)C1CCCCCC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine?
The InChIKey is BWPPIPXBQKULCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-18(16-7-5-3-4-6-8-16)13-14-9-11-15(17)12-10-14/h9-12,16H,2-8,13,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine?
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine has a molecular weight of 246.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine is sourced from PubChem (CID 82929453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).