N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline

C18H28N2 — CID 64520020

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccc(N(CC2CC2)C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-14(2)11-19-12-15-5-7-17(8-6-15)20(18-9-10-18)13-16-3-4-16/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3
InChIKeyADFSOQFXNORVJI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.81
Rot. Bonds8

About N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline

N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 64520020) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
PubChem CID64520020
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccc(N(CC2CC2)C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-14(2)11-19-12-15-5-7-17(8-6-15)20(18-9-10-18)13-16-3-4-16/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3
InChIKeyADFSOQFXNORVJI-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline (CID 64520020) is N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1ccc(N(CC2CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is ADFSOQFXNORVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)11-19-12-15-5-7-17(8-6-15)20(18-9-10-18)13-16-3-4-16/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline?
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 272.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 64520020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).