4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine

C9H16ClN — CID 90834219

IUPAC4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
SMILESC=C1CC(N(C)C)CCC1Cl
InChIInChI=1S/C9H16ClN/c1-7-6-8(11(2)3)4-5-9(7)10/h8-9H,1,4-6H2,2-3H3
InChIKeyGXRXCCCSUKAOHS-UHFFFAOYSA-N
MW173.69 g/mol
LogP2.26
Rot. Bonds1

About 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine

4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine (PubChem CID 90834219) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
PubChem CID90834219
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
SMILESC=C1CC(N(C)C)CCC1Cl
InChIInChI=1S/C9H16ClN/c1-7-6-8(11(2)3)4-5-9(7)10/h8-9H,1,4-6H2,2-3H3
InChIKeyGXRXCCCSUKAOHS-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol
CID 159039931
cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
CID 142165955
methane;N,N,4-trimethylcyclohexan-1-amine
CID 159051583
(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine
CID 125485118
5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol
CID 142213793
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686
4-(dimethylamino)cyclohexan-1-ol;vanadium
CID 176696741
(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 58289882
N,N-dimethylcyclobutanamine;N,N-dimethylmethanamine;ethane
CID 143754899
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine
CID 176827800
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;ethane
CID 169113778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine (CID 90834219) is 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine is C=C1CC(N(C)C)CCC1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine?
The InChIKey is GXRXCCCSUKAOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN/c1-7-6-8(11(2)3)4-5-9(7)10/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine?
4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine has a molecular weight of 173.69 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine is sourced from PubChem (CID 90834219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).