3-(prop-1-en-2-ylamino)pentanenitrile

C8H14N2 — CID 130215438

IUPAC3-(prop-1-en-2-ylamino)pentanenitrile
SMILESC=C(C)NC(CC)CC#N
InChIInChI=1S/C8H14N2/c1-4-8(5-6-9)10-7(2)3/h8,10H,2,4-5H2,1,3H3
InChIKeySSXGWBKGTXKWTN-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.80
Rot. Bonds4

About 3-(prop-1-en-2-ylamino)pentanenitrile

3-(prop-1-en-2-ylamino)pentanenitrile (PubChem CID 130215438) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(prop-1-en-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name3-(prop-1-en-2-ylamino)pentanenitrile
PubChem CID130215438
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(prop-1-en-2-ylamino)pentanenitrile
SMILESC=C(C)NC(CC)CC#N
InChIInChI=1S/C8H14N2/c1-4-8(5-6-9)10-7(2)3/h8,10H,2,4-5H2,1,3H3
InChIKeySSXGWBKGTXKWTN-UHFFFAOYSA-N
XLogP1.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-1-en-2-ylamino)pentanenitrile?
The IUPAC name of 3-(prop-1-en-2-ylamino)pentanenitrile (CID 130215438) is 3-(prop-1-en-2-ylamino)pentanenitrile.
What is the SMILES notation for 3-(prop-1-en-2-ylamino)pentanenitrile?
The canonical SMILES for 3-(prop-1-en-2-ylamino)pentanenitrile is C=C(C)NC(CC)CC#N.
What is the InChIKey of 3-(prop-1-en-2-ylamino)pentanenitrile?
The InChIKey is SSXGWBKGTXKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(5-6-9)10-7(2)3/h8,10H,2,4-5H2,1,3H3.
What are the key properties of 3-(prop-1-en-2-ylamino)pentanenitrile?
3-(prop-1-en-2-ylamino)pentanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-1-en-2-ylamino)pentanenitrile is sourced from PubChem (CID 130215438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).