N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline

C18H30N2 — CID 63493505

IUPACN,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline
SMILESCc1cccc(N(C)CC2(CNC(C)C)CCCC2)c1
InChIInChI=1S/C18H30N2/c1-15(2)19-13-18(10-5-6-11-18)14-20(4)17-9-7-8-16(3)12-17/h7-9,12,15,19H,5-6,10-11,13-14H2,1-4H3
InChIKeyUHOYCSSLLJERPJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds6

About N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline

N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline (PubChem CID 63493505) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline
PubChem CID63493505
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline
SMILESCc1cccc(N(C)CC2(CNC(C)C)CCCC2)c1
InChIInChI=1S/C18H30N2/c1-15(2)19-13-18(10-5-6-11-18)14-20(4)17-9-7-8-16(3)12-17/h7-9,12,15,19H,5-6,10-11,13-14H2,1-4H3
InChIKeyUHOYCSSLLJERPJ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-diethyl-m-toluidine
CID 66679
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N-ethyl-2-methyl-
CID 7201
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline?
The IUPAC name of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline (CID 63493505) is N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline is Cc1cccc(N(C)CC2(CNC(C)C)CCCC2)c1.
What is the InChIKey of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline?
The InChIKey is UHOYCSSLLJERPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)19-13-18(10-5-6-11-18)14-20(4)17-9-7-8-16(3)12-17/h7-9,12,15,19H,5-6,10-11,13-14H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline?
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline is sourced from PubChem (CID 63493505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).