ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine

C11H24N2 — CID 143265925

IUPACethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine
SMILESC/C=C\N=C(/CC)C(C)NC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-5-7-11-9(6-2)8(3)10-4;1-2/h5,7-8,10H,6H2,1-4H3;1-2H3/b7-5-,11-9+;
InChIKeyKPDWVQHMFBVVRQ-WRNWFBFPSA-N
MW184.33 g/mol
LogP3.01
Rot. Bonds4

About ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine

ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine (PubChem CID 143265925) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine
PubChem CID143265925
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine
SMILESC/C=C\N=C(/CC)C(C)NC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-5-7-11-9(6-2)8(3)10-4;1-2/h5,7-8,10H,6H2,1-4H3;1-2H3/b7-5-,11-9+;
InChIKeyKPDWVQHMFBVVRQ-WRNWFBFPSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-3,5-dimethyl-1,2-dihydropyrazine
CID 17861464
(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427185
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201
4-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 90051371
2-[(E)-prop-1-enyl]iminopentan-1-amine
CID 130181341
ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine
CID 142239194
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
N-methyl-3-[(Z)-prop-1-enyl]iminopent-4-en-1-amine
CID 143115331
ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163852
Ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine
CID 143829320
(3Z)-6-methyl-2,7,8,9-tetrahydro-1H-1,5-diazonine
CID 144272297
2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine?
The IUPAC name of ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine (CID 143265925) is ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine.
What is the SMILES notation for ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine?
The canonical SMILES for ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine is C/C=C\N=C(/CC)C(C)NC.CC.
What is the InChIKey of ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine?
The InChIKey is KPDWVQHMFBVVRQ-WRNWFBFPSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-5-7-11-9(6-2)8(3)10-4;1-2/h5,7-8,10H,6H2,1-4H3;1-2H3/b7-5-,11-9+;.
What are the key properties of ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine?
ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine is sourced from PubChem (CID 143265925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).