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

C16H28N2 — CID 129034333

IUPACN,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine
SMILESC/C=C\N=C(/C=C\C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H28N2/c1-5-7-15(17-12-6-2)13-18(4)16-10-8-14(3)9-11-16/h5-7,12,14,16H,8-11,13H2,1-4H3/b7-5-,12-6-,17-15+
InChIKeyGKXMHZSBWRIPNW-MECXQRTCSA-N
MW248.41 g/mol
LogP4.05
Rot. Bonds5

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

N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine (PubChem CID 129034333) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine
PubChem CID129034333
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine
SMILESC/C=C\N=C(/C=C\C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H28N2/c1-5-7-15(17-12-6-2)13-18(4)16-10-8-14(3)9-11-16/h5-7,12,14,16H,8-11,13H2,1-4H3/b7-5-,12-6-,17-15+
InChIKeyGKXMHZSBWRIPNW-MECXQRTCSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.05
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)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine (CID 129034333) is N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine is C/C=C\N=C(/C=C\C)CN(C)C1CCC(C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine?
The InChIKey is GKXMHZSBWRIPNW-MECXQRTCSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-7-15(17-12-6-2)13-18(4)16-10-8-14(3)9-11-16/h5-7,12,14,16H,8-11,13H2,1-4H3/b7-5-,12-6-,17-15+.
What are the key properties of N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine?
N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.05, 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)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 129034333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).