1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine

C14H27N — CID 115854202

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(C1CC2CC2C1)C(C)(C)C
InChIInChI=1S/C14H27N/c1-5-6-15-13(14(2,3)4)12-8-10-7-11(10)9-12/h10-13,15H,5-9H2,1-4H3
InChIKeyWZJHBSAHFZTWDH-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 115854202) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID115854202
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(C1CC2CC2C1)C(C)(C)C
InChIInChI=1S/C14H27N/c1-5-6-15-13(14(2,3)4)12-8-10-7-11(10)9-12/h10-13,15H,5-9H2,1-4H3
InChIKeyWZJHBSAHFZTWDH-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
CID 64986880
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023867
1-(2,2-dimethylcyclopentyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 107188690
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063170
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030316
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 115856711
1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759426

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 115854202) is 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(C1CC2CC2C1)C(C)(C)C.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is WZJHBSAHFZTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-15-13(14(2,3)4)12-8-10-7-11(10)9-12/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 115854202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).