(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine

C12H21N — CID 164973238

IUPAC(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(C1)C2
InChIInChI=1S/C12H21N/c1-8(2)9(3)13-10(4)12-5-11(6-12)7-12/h8-9,11,13H,4-7H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeyDPJKBGCKRLBLIM-OIKLOGQESA-N
MW179.31 g/mol
LogP2.93
Rot. Bonds4

About (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine

(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine (PubChem CID 164973238) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
PubChem CID164973238
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(C1)C2
InChIInChI=1S/C12H21N/c1-8(2)9(3)13-10(4)12-5-11(6-12)7-12/h8-9,11,13H,4-7H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeyDPJKBGCKRLBLIM-OIKLOGQESA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
CID 164556248
N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
CID 171516200
(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine
CID 164973242
(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
CID 164977829
(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine
CID 164984309
5,5-dimethyl-N-propylhex-1-en-2-amine
CID 126704253
5-methyl-N-propan-2-ylhex-1-en-2-amine
CID 129015156
3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine
CID 129028973
N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine
CID 129227514
N-(1-cyclobutylethenyl)propan-2-amine
CID 131998082
3-methyl-N-propan-2-ylhex-1-en-2-amine
CID 132029526
N-(1-cyclobutylethenyl)propan-1-amine
CID 132134239

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine (CID 164973238) is (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine is C=C(N[C@H](C)C(C)C)C12CC(C1)C2.
What is the InChIKey of (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
The InChIKey is DPJKBGCKRLBLIM-OIKLOGQESA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)9(3)13-10(4)12-5-11(6-12)7-12/h8-9,11,13H,4-7H2,1-3H3/t9-,11?,12?/m1/s1.
What are the key properties of (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
(2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 164973238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).