trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride

C17H29ClN2O2 — CID 159130348

IUPACtrans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1O.N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO.C5H11NO.ClH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;6-4-2-1-3-5(4)7;/h1-3,5-6,11-12H,4,7-9,13H2;4-5,7H,1-3,6H2;1H/t11-,12-;4-,5-;/m00./s1
InChIKeyOEHNZKQYTLUTJP-XJAOEYRZSA-N
MW328.88 g/mol
LogP2.36
Rot. Bonds3

About trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride

trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride (PubChem CID 159130348) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
PubChem CID159130348
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Nametrans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1O.N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO.C5H11NO.ClH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;6-4-2-1-3-5(4)7;/h1-3,5-6,11-12H,4,7-9,13H2;4-5,7H,1-3,6H2;1H/t11-,12-;4-,5-;/m00./s1
InChIKeyOEHNZKQYTLUTJP-XJAOEYRZSA-N
XLogP2.36
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride (CID 159130348) is trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride is Cl.N[C@H]1CCC[C@@H]1O.N[C@H]1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride?
The InChIKey is OEHNZKQYTLUTJP-XJAOEYRZSA-N. The full InChI is InChI=1S/C12H17NO.C5H11NO.ClH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;6-4-2-1-3-5(4)7;/h1-3,5-6,11-12H,4,7-9,13H2;4-5,7H,1-3,6H2;1H/t11-,12-;4-,5-;/m00./s1.
What are the key properties of trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride?
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 159130348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).