N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline

C14H22N2 — CID 115256344

IUPACN-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline
SMILESCC(C)Cc1ccc(NCC2(N)CC2)cc1
InChIInChI=1S/C14H22N2/c1-11(2)9-12-3-5-13(6-4-12)16-10-14(15)7-8-14/h3-6,11,16H,7-10,15H2,1-2H3
InChIKeyBUGNIIBRGRLZBP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline

N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline (PubChem CID 115256344) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline
PubChem CID115256344
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline
SMILESCC(C)Cc1ccc(NCC2(N)CC2)cc1
InChIInChI=1S/C14H22N2/c1-11(2)9-12-3-5-13(6-4-12)16-10-14(15)7-8-14/h3-6,11,16H,7-10,15H2,1-2H3
InChIKeyBUGNIIBRGRLZBP-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline (CID 115256344) is N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline is CC(C)Cc1ccc(NCC2(N)CC2)cc1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline?
The InChIKey is BUGNIIBRGRLZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)9-12-3-5-13(6-4-12)16-10-14(15)7-8-14/h3-6,11,16H,7-10,15H2,1-2H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline?
N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline is sourced from PubChem (CID 115256344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).