N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine

C18H29NO — CID 103903365

IUPACN-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
SMILESCCCCC(NCC1(C)CCOCC1)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-4-10-17(16-8-6-5-7-9-16)19-15-18(2)11-13-20-14-12-18/h5-9,17,19H,3-4,10-15H2,1-2H3
InChIKeyWZCHWMHZXVPOEC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds7

About N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine

N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine (PubChem CID 103903365) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
PubChem CID103903365
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
SMILESCCCCC(NCC1(C)CCOCC1)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-4-10-17(16-8-6-5-7-9-16)19-15-18(2)11-13-20-14-12-18/h5-9,17,19H,3-4,10-15H2,1-2H3
InChIKeyWZCHWMHZXVPOEC-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
CID 103911353
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
1-(4-chlorophenyl)-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63823108
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine (CID 103903365) is N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine is CCCCC(NCC1(C)CCOCC1)c1ccccc1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine?
The InChIKey is WZCHWMHZXVPOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-10-17(16-8-6-5-7-9-16)19-15-18(2)11-13-20-14-12-18/h5-9,17,19H,3-4,10-15H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine?
N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 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]-1-phenylpentan-1-amine is sourced from PubChem (CID 103903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).