cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine

C15H31NO — CID 170129842

IUPACcis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
SMILESCCCCCCCC(C)N[C@@H]1CC[C@H](OC)C1
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-9-13(2)16-14-10-11-15(12-14)17-3/h13-16H,4-12H2,1-3H3/t13?,14-,15+/m1/s1
InChIKeyUXMRXNFMCYEHCG-DMJDIKPUSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds9

About cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine

cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine (PubChem CID 170129842) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
PubChem CID170129842
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Namecis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
SMILESCCCCCCCC(C)N[C@@H]1CC[C@H](OC)C1
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-9-13(2)16-14-10-11-15(12-14)17-3/h13-16H,4-12H2,1-3H3/t13?,14-,15+/m1/s1
InChIKeyUXMRXNFMCYEHCG-DMJDIKPUSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
3-[(3-methoxycyclopentyl)amino]butanenitrile
CID 103080676
N-heptan-2-ylcycloheptanamine
CID 43082272
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897250
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine (CID 170129842) is cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine is CCCCCCCC(C)N[C@@H]1CC[C@H](OC)C1.
What is the InChIKey of cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine?
The InChIKey is UXMRXNFMCYEHCG-DMJDIKPUSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-6-7-8-9-13(2)16-14-10-11-15(12-14)17-3/h13-16H,4-12H2,1-3H3/t13?,14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine?
cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 170129842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).