trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine

C9H19NO — CID 94302785

IUPACtrans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine
SMILESCN[C@H]1CCC[C@@H]1OC(C)C
InChIInChI=1S/C9H19NO/c1-7(2)11-9-6-4-5-8(9)10-3/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyNVEGVZVWUGZBAC-IUCAKERBSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds3

About trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine

trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine (PubChem CID 94302785) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine
PubChem CID94302785
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine
SMILESCN[C@H]1CCC[C@@H]1OC(C)C
InChIInChI=1S/C9H19NO/c1-7(2)11-9-6-4-5-8(9)10-3/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyNVEGVZVWUGZBAC-IUCAKERBSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine (CID 94302785) is trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine is CN[C@H]1CCC[C@@H]1OC(C)C.
What is the InChIKey of trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine?
The InChIKey is NVEGVZVWUGZBAC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)11-9-6-4-5-8(9)10-3/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine?
trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-methyl-2-propan-2-yloxycyclopentan-1-amine is sourced from PubChem (CID 94302785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).