N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine

C13H27NO — CID 123622557

IUPACN-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine
SMILESCCCC(C)(C)C(OC)N(C)CC1CC1
InChIInChI=1S/C13H27NO/c1-6-9-13(2,3)12(15-5)14(4)10-11-7-8-11/h11-12H,6-10H2,1-5H3
InChIKeyWEVWKYQFJVTTLD-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.13
Rot. Bonds7

About N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine

N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine (PubChem CID 123622557) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine
PubChem CID123622557
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine
SMILESCCCC(C)(C)C(OC)N(C)CC1CC1
InChIInChI=1S/C13H27NO/c1-6-9-13(2,3)12(15-5)14(4)10-11-7-8-11/h11-12H,6-10H2,1-5H3
InChIKeyWEVWKYQFJVTTLD-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine
CID 90181702
N-(4-methoxybutyl)-N,4-dimethylpentan-1-amine
CID 117617426
1-methoxy-N,N-dimethyl-1-(2-methylcyclopropyl)methanamine
CID 123561842
2-(methoxymethyl)-N,N,2-trimethylpentan-1-amine
CID 139652112
2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 139927518
2-cyclopropyl-3-methoxy-N,N,2-trimethylpropan-1-amine
CID 139927541
2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 139927550
2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine
CID 139927563
2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
CID 139968810
N,N-diethyl-2-(methoxymethyl)-2-propan-2-ylpentan-1-amine
CID 139968834
2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine
CID 139968839
N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine
CID 139968845

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine (CID 123622557) is N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine is CCCC(C)(C)C(OC)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine?
The InChIKey is WEVWKYQFJVTTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-13(2,3)12(15-5)14(4)10-11-7-8-11/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine?
N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methoxy-N,2,2-trimethylpentan-1-amine is sourced from PubChem (CID 123622557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).