N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine

C18H36N2O — CID 103502607

IUPACN-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(C(C)C)CC2)CCOCC1
InChIInChI=1S/C18H36N2O/c1-4-9-19-14-18(7-12-21-13-8-18)15-20-10-5-17(6-11-20)16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyHCDHAYIJUGZHIA-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds7

About N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 103502607) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID103502607
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(C(C)C)CC2)CCOCC1
InChIInChI=1S/C18H36N2O/c1-4-9-19-14-18(7-12-21-13-8-18)15-20-10-5-17(6-11-20)16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyHCDHAYIJUGZHIA-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391631
1-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]piperidin-4-yl]ethanol
CID 106837791
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713
1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
CID 104960649
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066618
N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
4-methyl-1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-4-ol
CID 81115170

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine (CID 103502607) is N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2CCC(C(C)C)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is HCDHAYIJUGZHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-9-19-14-18(7-12-21-13-8-18)15-20-10-5-17(6-11-20)16(2)3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103502607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).