N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine

C13H27NO — CID 63277832

IUPACN-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
SMILESCOC(C)(C)CC(C)NC1CCCC1C
InChIInChI=1S/C13H27NO/c1-10-7-6-8-12(10)14-11(2)9-13(3,4)15-5/h10-12,14H,6-9H2,1-5H3
InChIKeyNHWNZZNQOHFDFY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine

N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 63277832) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
PubChem CID63277832
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
SMILESCOC(C)(C)CC(C)NC1CCCC1C
InChIInChI=1S/C13H27NO/c1-10-7-6-8-12(10)14-11(2)9-13(3,4)15-5/h10-12,14H,6-9H2,1-5H3
InChIKeyNHWNZZNQOHFDFY-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64908217
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 103786640
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
CID 103784997
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65066289
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
2-methyl-N-[1-(2-methylpropoxy)propan-2-yl]cyclohexan-1-amine
CID 115889323
N-(1-ethylsulfanylpropan-2-yl)-2-methylcyclopentan-1-amine
CID 115725602
N-(1-ethoxy-3-methylbutan-2-yl)-2-methylcyclopentan-1-amine
CID 103271639
3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide
CID 115689605

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine (CID 63277832) is N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine is COC(C)(C)CC(C)NC1CCCC1C.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is NHWNZZNQOHFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-7-6-8-12(10)14-11(2)9-13(3,4)15-5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine?
N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63277832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).