N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline

C17H26N2 — CID 55002084

IUPACN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1ccc(CNC2CC2)cc1)C1CC1
InChIInChI=1S/C17H26N2/c1-13(2)12-19(17-9-10-17)16-7-3-14(4-8-16)11-18-15-5-6-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3
InChIKeySTLQLGIKVUYPMF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.56
Rot. Bonds7

About N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline

N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline (PubChem CID 55002084) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
PubChem CID55002084
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1ccc(CNC2CC2)cc1)C1CC1
InChIInChI=1S/C17H26N2/c1-13(2)12-19(17-9-10-17)16-7-3-14(4-8-16)11-18-15-5-6-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3
InChIKeySTLQLGIKVUYPMF-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.56
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

N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-2-amine
CID 55059068
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001779
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62463721
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline?
The IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline (CID 55002084) is N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline.
What is the SMILES notation for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline?
The canonical SMILES for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline is CC(C)CN(c1ccc(CNC2CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline?
The InChIKey is STLQLGIKVUYPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)12-19(17-9-10-17)16-7-3-14(4-8-16)11-18-15-5-6-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline?
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline has a molecular weight of 258.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline is sourced from PubChem (CID 55002084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).