N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline

C13H15N3 — CID 59728187

IUPACN-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline
SMILESc1ccc(N(Cc2cnc[nH]2)C2CC2)cc1
InChIInChI=1S/C13H15N3/c1-2-4-12(5-3-1)16(13-6-7-13)9-11-8-14-10-15-11/h1-5,8,10,13H,6-7,9H2,(H,14,15)
InChIKeyPAPDNFKIZNYXSW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds4

About N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline

N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 59728187) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID59728187
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline
SMILESc1ccc(N(Cc2cnc[nH]2)C2CC2)cc1
InChIInChI=1S/C13H15N3/c1-2-4-12(5-3-1)16(13-6-7-13)9-11-8-14-10-15-11/h1-5,8,10,13H,6-7,9H2,(H,14,15)
InChIKeyPAPDNFKIZNYXSW-UHFFFAOYSA-N
XLogP2.58
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline (CID 59728187) is N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline is c1ccc(N(Cc2cnc[nH]2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is PAPDNFKIZNYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-4-12(5-3-1)16(13-6-7-13)9-11-8-14-10-15-11/h1-5,8,10,13H,6-7,9H2,(H,14,15).
What are the key properties of N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline?
N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 59728187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).