6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine

C10H17Cl2N — CID 58799873

IUPAC6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine
SMILESCC(C)NC1(C)CC2C(C1)C2(Cl)Cl
InChIInChI=1S/C10H17Cl2N/c1-6(2)13-9(3)4-7-8(5-9)10(7,11)12/h6-8,13H,4-5H2,1-3H3
InChIKeyIPTVDMDLUZFPEC-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.96
Rot. Bonds2

About 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine

6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine (PubChem CID 58799873) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine
PubChem CID58799873
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine
SMILESCC(C)NC1(C)CC2C(C1)C2(Cl)Cl
InChIInChI=1S/C10H17Cl2N/c1-6(2)13-9(3)4-7-8(5-9)10(7,11)12/h6-8,13H,4-5H2,1-3H3
InChIKeyIPTVDMDLUZFPEC-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-propan-2-yloxetan-3-amine
CID 58799671
4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine
CID 58799781
3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine
CID 152838706
1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine
CID 91215553
4-methyl-1,1-dioxo-N-propan-2-ylthian-4-amine
CID 146946507
N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine
CID 90365867
(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
CID 138484841
4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane
CID 12536814
2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
CID 18780189
(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane
CID 11944740
3-tert-butyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
CID 168724986
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 103563238

Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine (CID 58799873) is 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine is CC(C)NC1(C)CC2C(C1)C2(Cl)Cl.
What is the InChIKey of 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
The InChIKey is IPTVDMDLUZFPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-6(2)13-9(3)4-7-8(5-9)10(7,11)12/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine has a molecular weight of 222.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 58799873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).