N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine

C15H29NO — CID 65413363

IUPACN-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCC(C)C1
InChIInChI=1S/C15H29NO/c1-12-8-9-13(11-12)15(16-2)7-3-5-14-6-4-10-17-14/h12-16H,3-11H2,1-2H3
InChIKeyHDBACLGKRSIBGU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine

N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65413363) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID65413363
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCC(C)C1
InChIInChI=1S/C15H29NO/c1-12-8-9-13(11-12)15(16-2)7-3-5-14-6-4-10-17-14/h12-16H,3-11H2,1-2H3
InChIKeyHDBACLGKRSIBGU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-cyclohexyl-1-methoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 116771534
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695
N-methyl-4-(oxolan-2-yl)-1-(4-propylmorpholin-2-yl)butan-1-amine
CID 79657476
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine (CID 65413363) is N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine is CNC(CCCC1CCCO1)C1CCC(C)C1.
What is the InChIKey of N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is HDBACLGKRSIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-8-9-13(11-12)15(16-2)7-3-5-14-6-4-10-17-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine?
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65413363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).