2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile

C12H22N2 — CID 65495825

IUPAC2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
SMILESCCC(NCC1(CC#N)CC1)C(C)C
InChIInChI=1S/C12H22N2/c1-4-11(10(2)3)14-9-12(5-6-12)7-8-13/h10-11,14H,4-7,9H2,1-3H3
InChIKeyKHBMVTNVGLBQEG-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.70
Rot. Bonds6

About 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65495825) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65495825
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
SMILESCCC(NCC1(CC#N)CC1)C(C)C
InChIInChI=1S/C12H22N2/c1-4-11(10(2)3)14-9-12(5-6-12)7-8-13/h10-11,14H,4-7,9H2,1-3H3
InChIKeyKHBMVTNVGLBQEG-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile (CID 65495825) is 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile is CCC(NCC1(CC#N)CC1)C(C)C.
What is the InChIKey of 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is KHBMVTNVGLBQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11(10(2)3)14-9-12(5-6-12)7-8-13/h10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).