ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine

C10H26N2 — CID 144711980

IUPACethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine
SMILESC/C=C\N.CC.CCCNCC
InChIInChI=1S/C5H13N.C3H7N.C2H6/c1-3-5-6-4-2;1-2-3-4;1-2/h6H,3-5H2,1-2H3;2-3H,4H2,1H3;1-2H3/b;3-2-;
InChIKeyKJPLNJGHLLDERQ-PMOSZIESSA-N
MW174.33 g/mol
LogP2.51
Rot. Bonds3

About ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine

ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine (PubChem CID 144711980) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine
PubChem CID144711980
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Nameethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine
SMILESC/C=C\N.CC.CCCNCC
InChIInChI=1S/C5H13N.C3H7N.C2H6/c1-3-5-6-4-2;1-2-3-4;1-2/h6H,3-5H2,1-2H3;2-3H,4H2,1H3;1-2H3/b;3-2-;
InChIKeyKJPLNJGHLLDERQ-PMOSZIESSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19956382
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
ethane;N-ethylhexan-1-amine
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azane;prop-1-en-1-amine
CID 174584190
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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine?
The IUPAC name of ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine (CID 144711980) is ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine.
What is the SMILES notation for ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine?
The canonical SMILES for ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine is C/C=C\N.CC.CCCNCC.
What is the InChIKey of ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine?
The InChIKey is KJPLNJGHLLDERQ-PMOSZIESSA-N. The full InChI is InChI=1S/C5H13N.C3H7N.C2H6/c1-3-5-6-4-2;1-2-3-4;1-2/h6H,3-5H2,1-2H3;2-3H,4H2,1H3;1-2H3/b;3-2-;.
What are the key properties of ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine?
ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine has a molecular weight of 174.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine is sourced from PubChem (CID 144711980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).