N-(5-methylheptan-3-yl)oxan-4-amine

C13H27NO — CID 43609876

IUPACN-(5-methylheptan-3-yl)oxan-4-amine
SMILESCCC(C)CC(CC)NC1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-11(3)10-12(5-2)14-13-6-8-15-9-7-13/h11-14H,4-10H2,1-3H3
InChIKeyUHVJILKTDQVFKF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-(5-methylheptan-3-yl)oxan-4-amine

N-(5-methylheptan-3-yl)oxan-4-amine (PubChem CID 43609876) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)oxan-4-amine
PubChem CID43609876
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(5-methylheptan-3-yl)oxan-4-amine
SMILESCCC(C)CC(CC)NC1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-11(3)10-12(5-2)14-13-6-8-15-9-7-13/h11-14H,4-10H2,1-3H3
InChIKeyUHVJILKTDQVFKF-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)oxan-4-amine?
The IUPAC name of N-(5-methylheptan-3-yl)oxan-4-amine (CID 43609876) is N-(5-methylheptan-3-yl)oxan-4-amine.
What is the SMILES notation for N-(5-methylheptan-3-yl)oxan-4-amine?
The canonical SMILES for N-(5-methylheptan-3-yl)oxan-4-amine is CCC(C)CC(CC)NC1CCOCC1.
What is the InChIKey of N-(5-methylheptan-3-yl)oxan-4-amine?
The InChIKey is UHVJILKTDQVFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(3)10-12(5-2)14-13-6-8-15-9-7-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(5-methylheptan-3-yl)oxan-4-amine?
N-(5-methylheptan-3-yl)oxan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)oxan-4-amine is sourced from PubChem (CID 43609876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).