4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine

C10H19N3 — CID 153404773

IUPAC4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine
SMILESC/N=C/C(=C\N)C1CCC(N)CC1
InChIInChI=1S/C10H19N3/c1-13-7-9(6-11)8-2-4-10(12)5-3-8/h6-8,10H,2-5,11-12H2,1H3/b9-6+,13-7+
InChIKeyBMROFWFCFBIPSS-KTKDNUBYSA-N
MW181.28 g/mol
LogP1.05
Rot. Bonds2

About 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine

4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine (PubChem CID 153404773) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine
PubChem CID153404773
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine
SMILESC/N=C/C(=C\N)C1CCC(N)CC1
InChIInChI=1S/C10H19N3/c1-13-7-9(6-11)8-2-4-10(12)5-3-8/h6-8,10H,2-5,11-12H2,1H3/b9-6+,13-7+
InChIKeyBMROFWFCFBIPSS-KTKDNUBYSA-N
XLogP1.05
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404764
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404815
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine
CID 153404808
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404816
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404946
1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
CID 123878687
4-(3,4-Dihydropyridin-5-yl)pentan-1-amine
CID 124029169
4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine
CID 143594629
4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine;molecular hydrogen
CID 153404772
4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404787
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine;sulfane
CID 153404807
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404945

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine (CID 153404773) is 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine is C/N=C/C(=C\N)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine?
The InChIKey is BMROFWFCFBIPSS-KTKDNUBYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13-7-9(6-11)8-2-4-10(12)5-3-8/h6-8,10H,2-5,11-12H2,1H3/b9-6+,13-7+.
What are the key properties of 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine?
4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 153404773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).