N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine

C14H29NO — CID 104993166

IUPACN,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
SMILESCNC(CCCC1CCCO1)C(C)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)12(3)14(15-4)9-5-7-13-8-6-10-16-13/h11-15H,5-10H2,1-4H3
InChIKeyWCLLPCFDTJGJJL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine

N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine (PubChem CID 104993166) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
PubChem CID104993166
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
SMILESCNC(CCCC1CCCO1)C(C)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)12(3)14(15-4)9-5-7-13-8-6-10-16-13/h11-15H,5-10H2,1-4H3
InChIKeyWCLLPCFDTJGJJL-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
5-ethyl-N-methyl-1-(oxolan-2-yl)nonan-4-amine
CID 104993154
1-cyclohexyl-1-methoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 116771534
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine?
The IUPAC name of N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine (CID 104993166) is N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine.
What is the SMILES notation for N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine?
The canonical SMILES for N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine is CNC(CCCC1CCCO1)C(C)C(C)C.
What is the InChIKey of N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine?
The InChIKey is WCLLPCFDTJGJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)12(3)14(15-4)9-5-7-13-8-6-10-16-13/h11-15H,5-10H2,1-4H3.
What are the key properties of N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine?
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine is sourced from PubChem (CID 104993166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).