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

C13H27NO — CID 65164663

IUPACN,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
SMILESCCC(C)C(CCCC1CCCO1)NC
InChIInChI=1S/C13H27NO/c1-4-11(2)13(14-3)9-5-7-12-8-6-10-15-12/h11-14H,4-10H2,1-3H3
InChIKeyHHWQKWKAJODLKL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

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

N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine (PubChem CID 65164663) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
PubChem CID65164663
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
SMILESCCC(C)C(CCCC1CCCO1)NC
InChIInChI=1S/C13H27NO/c1-4-11(2)13(14-3)9-5-7-12-8-6-10-15-12/h11-14H,4-10H2,1-3H3
InChIKeyHHWQKWKAJODLKL-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Analyze N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
5-ethyl-N-methyl-1-(oxolan-2-yl)nonan-4-amine
CID 104993154
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
1-cyclohexyl-1-methoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 116771534
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105246420
[1-cyclopropyl-1-ethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105273156
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine?
The IUPAC name of N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine (CID 65164663) is N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine.
What is the SMILES notation for N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine?
The canonical SMILES for N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine is CCC(C)C(CCCC1CCCO1)NC.
What is the InChIKey of N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine?
The InChIKey is HHWQKWKAJODLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(2)13(14-3)9-5-7-12-8-6-10-15-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine?
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine is sourced from PubChem (CID 65164663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).