trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine

C8H17N — CID 71351363

IUPACtrans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCN[C@@H]1CCC[C@H]1C
InChIInChI=1S/C8H17N/c1-3-9-8-6-4-5-7(8)2/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDAPDKDGIWOJLKQ-HTQZYQBOSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds2

About trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine

trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 71351363) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID71351363
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nametrans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCN[C@@H]1CCC[C@H]1C
InChIInChI=1S/C8H17N/c1-3-9-8-6-4-5-7(8)2/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDAPDKDGIWOJLKQ-HTQZYQBOSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline
CID 174940718
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
(2S)-1-N-ethylcyclopentane-1,2-diamine
CID 134287800
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014
2-methyl-N-(2-methylidenebutyl)cyclopentan-1-amine
CID 66044515
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 115688826
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine (CID 71351363) is trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine is CCN[C@@H]1CCC[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is DAPDKDGIWOJLKQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17N/c1-3-9-8-6-4-5-7(8)2/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine?
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 71351363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).