N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine

C13H27NO — CID 93468164

IUPACN-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
SMILESCCCC(CCC)NCC[C@H]1CCCO1
InChIInChI=1S/C13H27NO/c1-3-6-12(7-4-2)14-10-9-13-8-5-11-15-13/h12-14H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyBSNQCOSFGHWRIJ-CYBMUJFWSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds8

About N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine

N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine (PubChem CID 93468164) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
PubChem CID93468164
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
SMILESCCCC(CCC)NCC[C@H]1CCCO1
InChIInChI=1S/C13H27NO/c1-3-6-12(7-4-2)14-10-9-13-8-5-11-15-13/h12-14H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyBSNQCOSFGHWRIJ-CYBMUJFWSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(3-(oxolan-2-yl)propyl)amine
CID 12700136
2-(2-Methoxyethyl)pyrrolidine
CID 53878178
N,2,6-trimethyloxan-4-amine
CID 70343666
Methyl(2-(oxolan-2-yl)ethyl)amine hydrochloride
CID 75481481
3-Ethoxy-8-azabicyclo[3.2.1]octane
CID 112756675
(2s)-2-(2-Methoxyethyl)pyrrolidine
CID 75464872
Methyl[2-(oxolan-2-yl)ethyl]amine
CID 20773508
2-(2-(Tert-butoxy)ethyl)pyrrolidine hydrochloride
CID 165692505
2-(2-Methoxyethyl)pyrrolidine HCl
CID 171934853
1-Methyl-N-(2-(tetrahydrofuran-2-yl)ethyl)piperidin-4-amine
CID 61038851
N-(3-cyclopentyloxypropyl)cycloheptanamine
CID 131948793
2-(2-(tert-Butoxy)ethyl)pyrrolidine
CID 60147164

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine?
The IUPAC name of N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine (CID 93468164) is N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine?
The canonical SMILES for N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine is CCCC(CCC)NCC[C@H]1CCCO1.
What is the InChIKey of N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine?
The InChIKey is BSNQCOSFGHWRIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-6-12(7-4-2)14-10-9-13-8-5-11-15-13/h12-14H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine?
N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine is sourced from PubChem (CID 93468164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).