N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline

C18H30N2 — CID 63553009

IUPACN-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1C)C1CCCC1
InChIInChI=1S/C18H30N2/c1-5-20(17-8-6-7-9-17)18-11-10-16(12-15(18)4)13-19-14(2)3/h10-12,14,17,19H,5-9,13H2,1-4H3
InChIKeyQNRTVTWEFGKXFT-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.26
Rot. Bonds6

About N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline

N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 63553009) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID63553009
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1C)C1CCCC1
InChIInChI=1S/C18H30N2/c1-5-20(17-8-6-7-9-17)18-11-10-16(12-15(18)4)13-19-14(2)3/h10-12,14,17,19H,5-9,13H2,1-4H3
InChIKeyQNRTVTWEFGKXFT-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
CID 62120321
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
CID 60930044
N-cyclopentyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63551153
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
2-bromo-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 114062715
2-chloro-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 81149000
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 64520411
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline (CID 63553009) is N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline is CCN(c1ccc(CNC(C)C)cc1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is QNRTVTWEFGKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(17-8-6-7-9-17)18-11-10-16(12-15(18)4)13-19-14(2)3/h10-12,14,17,19H,5-9,13H2,1-4H3.
What are the key properties of N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63553009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).