N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine

C15H31NO — CID 103036776

IUPACN-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine
SMILESCOC(C)(C)CCC1(CNC(C)C)CCCC1
InChIInChI=1S/C15H31NO/c1-13(2)16-12-15(8-6-7-9-15)11-10-14(3,4)17-5/h13,16H,6-12H2,1-5H3
InChIKeyQQGJEILNWNZMKV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 103036776) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine
PubChem CID103036776
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine
SMILESCOC(C)(C)CCC1(CNC(C)C)CCCC1
InChIInChI=1S/C15H31NO/c1-13(2)16-12-15(8-6-7-9-15)11-10-14(3,4)17-5/h13,16H,6-12H2,1-5H3
InChIKeyQQGJEILNWNZMKV-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine (CID 103036776) is N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine is COC(C)(C)CCC1(CNC(C)C)CCCC1.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is QQGJEILNWNZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)16-12-15(8-6-7-9-15)11-10-14(3,4)17-5/h13,16H,6-12H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 103036776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).