2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile

C16H16N2 — CID 65479545

IUPAC2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2cccc3ccccc23)CC1
InChIInChI=1S/C16H16N2/c17-11-10-16(8-9-16)12-18-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,18H,8-10,12H2
InChIKeyVDIBBPZMTIOUFC-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65479545) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65479545
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2cccc3ccccc23)CC1
InChIInChI=1S/C16H16N2/c17-11-10-16(8-9-16)12-18-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,18H,8-10,12H2
InChIKeyVDIBBPZMTIOUFC-UHFFFAOYSA-N
XLogP3.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile (CID 65479545) is 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is VDIBBPZMTIOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-11-10-16(8-9-16)12-18-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,18H,8-10,12H2.
What are the key properties of 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65479545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).