ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine

C15H32N2 — CID 142257782

IUPACethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
SMILESC/C=C\N=C(/C)CCN(C)CCCCC.CC
InChIInChI=1S/C13H26N2.C2H6/c1-5-7-8-11-15(4)12-9-13(3)14-10-6-2;1-2/h6,10H,5,7-9,11-12H2,1-4H3;1-2H3/b10-6-,14-13+;
InChIKeyPFZMCASETDWEJC-ZRNNAGBDSA-N
MW240.44 g/mol
LogP4.52
Rot. Bonds8

About ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine

ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine (PubChem CID 142257782) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
PubChem CID142257782
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Nameethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
SMILESC/C=C\N=C(/C)CCN(C)CCCCC.CC
InChIInChI=1S/C13H26N2.C2H6/c1-5-7-8-11-15(4)12-9-13(3)14-10-6-2;1-2/h6,10H,5,7-9,11-12H2,1-4H3;1-2H3/b10-6-,14-13+;
InChIKeyPFZMCASETDWEJC-ZRNNAGBDSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[(Z)-prop-1-enyl]iminopropan-1-amine
CID 118370069
N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine
CID 123494328
2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine
CID 129272810
4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 134388024
5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 142050772
N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine
CID 142257797
3-[(1Z)-buta-1,3-dienyl]imino-N,N-dimethylheptan-4-amine;ethane
CID 142371414
N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
CID 142257783
N,N-dimethyl-2-[(Z)-prop-1-enyl]iminononan-5-amine
CID 143764002

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine?
The IUPAC name of ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine (CID 142257782) is ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine.
What is the SMILES notation for ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine?
The canonical SMILES for ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine is C/C=C\N=C(/C)CCN(C)CCCCC.CC.
What is the InChIKey of ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine?
The InChIKey is PFZMCASETDWEJC-ZRNNAGBDSA-N. The full InChI is InChI=1S/C13H26N2.C2H6/c1-5-7-8-11-15(4)12-9-13(3)14-10-6-2;1-2/h6,10H,5,7-9,11-12H2,1-4H3;1-2H3/b10-6-,14-13+;.
What are the key properties of ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine?
ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine has a molecular weight of 240.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine is sourced from PubChem (CID 142257782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).