N-[(4-methyloxan-4-yl)methyl]heptan-4-amine

C14H29NO — CID 115893009

IUPACN-[(4-methyloxan-4-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCC1(C)CCOCC1
InChIInChI=1S/C14H29NO/c1-4-6-13(7-5-2)15-12-14(3)8-10-16-11-9-14/h13,15H,4-12H2,1-3H3
InChIKeyKQRCRQWJORLIDW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About N-[(4-methyloxan-4-yl)methyl]heptan-4-amine

N-[(4-methyloxan-4-yl)methyl]heptan-4-amine (PubChem CID 115893009) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]heptan-4-amine
PubChem CID115893009
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(4-methyloxan-4-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCC1(C)CCOCC1
InChIInChI=1S/C14H29NO/c1-4-6-13(7-5-2)15-12-14(3)8-10-16-11-9-14/h13,15H,4-12H2,1-3H3
InChIKeyKQRCRQWJORLIDW-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine
CID 139447352
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
CID 103903365
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
3-[(4-methyloxan-4-yl)methylamino]butanamide
CID 115893031
3-[(4-methyloxan-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 104586350
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
CID 104586482
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
CID 115892015
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
CID 103911353

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]heptan-4-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]heptan-4-amine (CID 115893009) is N-[(4-methyloxan-4-yl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]heptan-4-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]heptan-4-amine is CCCC(CCC)NCC1(C)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]heptan-4-amine?
The InChIKey is KQRCRQWJORLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-13(7-5-2)15-12-14(3)8-10-16-11-9-14/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]heptan-4-amine?
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]heptan-4-amine is sourced from PubChem (CID 115893009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).