trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine

C12H21N — CID 130978957

IUPACtrans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCC1CC2CCC1C2
InChIInChI=1S/C12H21N/c1-8-4-12(8)13-7-11-6-9-2-3-10(11)5-9/h8-13H,2-7H2,1H3/t8-,9?,10?,11?,12-/m1/s1
InChIKeyMPJZUUJAHJOKOK-OQIXZIGXSA-N
MW179.31 g/mol
LogP2.42
Rot. Bonds3

About trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine

trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine (PubChem CID 130978957) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
PubChem CID130978957
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nametrans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCC1CC2CCC1C2
InChIInChI=1S/C12H21N/c1-8-4-12(8)13-7-11-6-9-2-3-10(11)5-9/h8-13H,2-7H2,1H3/t8-,9?,10?,11?,12-/m1/s1
InChIKeyMPJZUUJAHJOKOK-OQIXZIGXSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
CID 115337616
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 114123275
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
CID 62734121
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylpiperidin-4-amine
CID 55232032
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780287
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine (CID 130978957) is trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine is C[C@@H]1C[C@H]1NCC1CC2CCC1C2.
What is the InChIKey of trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine?
The InChIKey is MPJZUUJAHJOKOK-OQIXZIGXSA-N. The full InChI is InChI=1S/C12H21N/c1-8-4-12(8)13-7-11-6-9-2-3-10(11)5-9/h8-13H,2-7H2,1H3/t8-,9?,10?,11?,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine?
trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 130978957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).