N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine

C12H25NO — CID 90181702

IUPACN-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine
SMILESCOCC(C)CCCN(C)CC1CC1
InChIInChI=1S/C12H25NO/c1-11(10-14-3)5-4-8-13(2)9-12-6-7-12/h11-12H,4-10H2,1-3H3
InChIKeyGOTCZMDHGRIKSS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.39
Rot. Bonds8

About N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine

N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 90181702) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine
PubChem CID90181702
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine
SMILESCOCC(C)CCCN(C)CC1CC1
InChIInChI=1S/C12H25NO/c1-11(10-14-3)5-4-8-13(2)9-12-6-7-12/h11-12H,4-10H2,1-3H3
InChIKeyGOTCZMDHGRIKSS-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine (CID 90181702) is N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine is COCC(C)CCCN(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is GOTCZMDHGRIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(10-14-3)5-4-8-13(2)9-12-6-7-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine?
N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 90181702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).