N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline

C19H32N2 — CID 63551176

IUPACN-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNCC(C)C)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-10-21(14-17-6-7-17)19-9-8-18(16(4)11-19)13-20-12-15(2)3/h8-9,11,15,17,20H,5-7,10,12-14H2,1-4H3
InChIKeyQLUHJCFCZKEYSB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.37
Rot. Bonds9

About N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline

N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline (PubChem CID 63551176) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
PubChem CID63551176
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNCC(C)C)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-10-21(14-17-6-7-17)19-9-8-18(16(4)11-19)13-20-12-15(2)3/h8-9,11,15,17,20H,5-7,10,12-14H2,1-4H3
InChIKeyQLUHJCFCZKEYSB-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
CID 61445151
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 63552325
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843
N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
CID 63630730
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline (CID 63551176) is N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline is CCCN(CC1CC1)c1ccc(CNCC(C)C)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline?
The InChIKey is QLUHJCFCZKEYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-10-21(14-17-6-7-17)19-9-8-18(16(4)11-19)13-20-12-15(2)3/h8-9,11,15,17,20H,5-7,10,12-14H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline?
N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline is sourced from PubChem (CID 63551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).