2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine

C8H17N — CID 142155294

IUPAC2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine
SMILESC/C=C\NCC(C)CC
InChIInChI=1S/C8H17N/c1-4-6-9-7-8(3)5-2/h4,6,8-9H,5,7H2,1-3H3/b6-4-
InChIKeyLSJISMLMVRLALY-XQRVVYSFSA-N
MW127.23 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine

2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine (PubChem CID 142155294) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine
PubChem CID142155294
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine
SMILESC/C=C\NCC(C)CC
InChIInChI=1S/C8H17N/c1-4-6-9-7-8(3)5-2/h4,6,8-9H,5,7H2,1-3H3/b6-4-
InChIKeyLSJISMLMVRLALY-XQRVVYSFSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine (CID 142155294) is 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine is C/C=C\NCC(C)CC.
What is the InChIKey of 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine?
The InChIKey is LSJISMLMVRLALY-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-9-7-8(3)5-2/h4,6,8-9H,5,7H2,1-3H3/b6-4-.
What are the key properties of 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine?
2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine is sourced from PubChem (CID 142155294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).