N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine

C17H30N2 — CID 130459547

IUPACN,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
SMILESC/C=C\N=C(/C=C\C)C(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H30N2/c1-6-8-17(18-13-7-2)15(4)19(5)16-11-9-14(3)10-12-16/h6-8,13-16H,9-12H2,1-5H3/b8-6-,13-7-,18-17+
InChIKeyIDPGZZMBWJNGRD-WYOFWDOWSA-N
MW262.44 g/mol
LogP4.44
Rot. Bonds5

About N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine

N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine (PubChem CID 130459547) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
PubChem CID130459547
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
SMILESC/C=C\N=C(/C=C\C)C(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H30N2/c1-6-8-17(18-13-7-2)15(4)19(5)16-11-9-14(3)10-12-16/h6-8,13-16H,9-12H2,1-5H3/b8-6-,13-7-,18-17+
InChIKeyIDPGZZMBWJNGRD-WYOFWDOWSA-N
XLogP4.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine (CID 130459547) is N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine is C/C=C\N=C(/C=C\C)C(C)N(C)C1CCC(C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine?
The InChIKey is IDPGZZMBWJNGRD-WYOFWDOWSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-17(18-13-7-2)15(4)19(5)16-11-9-14(3)10-12-16/h6-8,13-16H,9-12H2,1-5H3/b8-6-,13-7-,18-17+.
What are the key properties of N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine?
N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 130459547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).