(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C14H24N2O — CID 7203143

IUPAC(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(CC(C)C)=N/NC(=O)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C14H24N2O/c1-9(2)8-10(3)15-16-14(17)13-11-6-4-5-7-12(11)13/h9,11-13H,4-8H2,1-3H3,(H,16,17)/b15-10-/t11-,12-/m0/s1
InChIKeyFTYUJGZRCYECNZ-FYNLYHTJSA-N
MW236.36 g/mol
LogP2.96
Rot. Bonds4

About (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 7203143) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID7203143
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(CC(C)C)=N/NC(=O)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C14H24N2O/c1-9(2)8-10(3)15-16-14(17)13-11-6-4-5-7-12(11)13/h9,11-13H,4-8H2,1-3H3,(H,16,17)/b15-10-/t11-,12-/m0/s1
InChIKeyFTYUJGZRCYECNZ-FYNLYHTJSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide
CID 19685374
N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
CID 4219889
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
CID 6175559
(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 6921900
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 7203143) is (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is C/C(CC(C)C)=N/NC(=O)C1[C@H]2CCCC[C@H]12.
What is the InChIKey of (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is FTYUJGZRCYECNZ-FYNLYHTJSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)8-10(3)15-16-14(17)13-11-6-4-5-7-12(11)13/h9,11-13H,4-8H2,1-3H3,(H,16,17)/b15-10-/t11-,12-/m0/s1.
What are the key properties of (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 7203143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).