N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine

C10H19NO — CID 130756041

IUPACN-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
SMILESCC(C)[C@H]1CC[C@@H](C)CC1=NO
InChIInChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h7-9,12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyXJKYDNDJFRDNHX-RKDXNWHRSA-N
MW169.27 g/mol
LogP2.91
Rot. Bonds1

About N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine

N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine (PubChem CID 130756041) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
PubChem CID130756041
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
SMILESCC(C)[C@H]1CC[C@@H](C)CC1=NO
InChIInChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h7-9,12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyXJKYDNDJFRDNHX-RKDXNWHRSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]thiourea
CID 9071727
2-cyano-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]acetamide
CID 7188891
trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
CID 10868949
trans-(Z,2S,5R)-5-methyl-2-propan-2-yl-N-prop-2-enoxycyclohexan-1-imine
CID 46945726
4-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9060236
trans-(E,2S,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynoxycyclohexan-1-imine
CID 46945518
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
3-chloro-N-[(Z)-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174948
3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174950
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
CID 9059884

Frequently Asked Questions

What is the IUPAC name of N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine?
The IUPAC name of N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine (CID 130756041) is N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine?
The canonical SMILES for N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine is CC(C)[C@H]1CC[C@@H](C)CC1=NO.
What is the InChIKey of N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine?
The InChIKey is XJKYDNDJFRDNHX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h7-9,12H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine?
N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine has a molecular weight of 169.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 130756041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).