N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine

C9H17N — CID 45087803

IUPACN-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine
SMILESC/C=C\N(/C=C/C)CCC
InChIInChI=1S/C9H17N/c1-4-7-10(8-5-2)9-6-3/h4-5,7-8H,6,9H2,1-3H3/b7-4-,8-5+
InChIKeyXTRUOMCYQAZHBV-DKBJKEKUSA-N
MW139.24 g/mol
LogP2.77
Rot. Bonds4

About N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine

N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine (PubChem CID 45087803) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine
PubChem CID45087803
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine
SMILESC/C=C\N(/C=C/C)CCC
InChIInChI=1S/C9H17N/c1-4-7-10(8-5-2)9-6-3/h4-5,7-8H,6,9H2,1-3H3/b7-4-,8-5+
InChIKeyXTRUOMCYQAZHBV-DKBJKEKUSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(methoxymethyl)-N-prop-1-enylpropan-1-amine
CID 150435878
N,N-bis(but-1-enyl)butan-1-amine
CID 73433209
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
N-ethenyl-3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine
CID 156859544
N-butyl-N-prop-1-enylacetamide
CID 54345806
N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 145189916
(E)-N,N-dipropylpent-3-en-2-amine
CID 121218071
(Z)-N,N-dipropylpent-3-en-1-yn-1-amine
CID 23268221
butane;but-2-ene;methane
CID 161391432
N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 121432265
N,N-dipropylbut-1-en-1-amine
CID 575133
N,N-dipropylpent-3-en-2-amine;hydrochloride
CID 155653024

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine?
The IUPAC name of N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine (CID 45087803) is N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine?
The canonical SMILES for N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine is C/C=C\N(/C=C/C)CCC.
What is the InChIKey of N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine?
The InChIKey is XTRUOMCYQAZHBV-DKBJKEKUSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-10(8-5-2)9-6-3/h4-5,7-8H,6,9H2,1-3H3/b7-4-,8-5+.
What are the key properties of N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine?
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine is sourced from PubChem (CID 45087803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).