trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine

C10H21NO — CID 94302774

IUPACtrans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
SMILESCCN[C@@H]1CCC[C@H]1OC(C)C
InChIInChI=1S/C10H21NO/c1-4-11-9-6-5-7-10(9)12-8(2)3/h8-11H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeySEVAIKRVRMGHJS-NXEZZACHSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

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

trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine (PubChem CID 94302774) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
PubChem CID94302774
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
SMILESCCN[C@@H]1CCC[C@H]1OC(C)C
InChIInChI=1S/C10H21NO/c1-4-11-9-6-5-7-10(9)12-8(2)3/h8-11H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeySEVAIKRVRMGHJS-NXEZZACHSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
CID 94302756
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
CID 114208332
N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
CID 106200977
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
N-ethyl-2-(oxolan-3-yloxy)cyclohexan-1-amine
CID 63559041
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
N-ethyl-2-(3-methylcyclohexyl)oxycyclooctan-1-amine
CID 63474385

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine (CID 94302774) is trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine is CCN[C@@H]1CCC[C@H]1OC(C)C.
What is the InChIKey of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine?
The InChIKey is SEVAIKRVRMGHJS-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11-9-6-5-7-10(9)12-8(2)3/h8-11H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine?
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine is sourced from PubChem (CID 94302774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).