ethanol;2-methyl-N-propylcyclopentan-1-amine

C11H25NO — CID 89249243

IUPACethanol;2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1C.CCO
InChIInChI=1S/C9H19N.C2H6O/c1-3-7-10-9-6-4-5-8(9)2;1-2-3/h8-10H,3-7H2,1-2H3;3H,2H2,1H3
InChIKeyPKDNEYLSDSZXNI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds3

About ethanol;2-methyl-N-propylcyclopentan-1-amine

ethanol;2-methyl-N-propylcyclopentan-1-amine (PubChem CID 89249243) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethanol;2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Nameethanol;2-methyl-N-propylcyclopentan-1-amine
PubChem CID89249243
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethanol;2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1C.CCO
InChIInChI=1S/C9H19N.C2H6O/c1-3-7-10-9-6-4-5-8(9)2;1-2-3/h8-10H,3-7H2,1-2H3;3H,2H2,1H3
InChIKeyPKDNEYLSDSZXNI-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of ethanol;2-methyl-N-propylcyclopentan-1-amine (CID 89249243) is ethanol;2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for ethanol;2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for ethanol;2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1C.CCO.
What is the InChIKey of ethanol;2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is PKDNEYLSDSZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6O/c1-3-7-10-9-6-4-5-8(9)2;1-2-3/h8-10H,3-7H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;2-methyl-N-propylcyclopentan-1-amine?
ethanol;2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 89249243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).