N-[(4-nonyloxan-4-yl)methyl]propan-2-amine

C18H37NO — CID 63502493

IUPACN-[(4-nonyloxan-4-yl)methyl]propan-2-amine
SMILESCCCCCCCCCC1(CNC(C)C)CCOCC1
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-18(16-19-17(2)3)12-14-20-15-13-18/h17,19H,4-16H2,1-3H3
InChIKeyHGEBIGRCSIIVAF-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds11

About N-[(4-nonyloxan-4-yl)methyl]propan-2-amine

N-[(4-nonyloxan-4-yl)methyl]propan-2-amine (PubChem CID 63502493) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[(4-nonyloxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-nonyloxan-4-yl)methyl]propan-2-amine
PubChem CID63502493
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[(4-nonyloxan-4-yl)methyl]propan-2-amine
SMILESCCCCCCCCCC1(CNC(C)C)CCOCC1
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-18(16-19-17(2)3)12-14-20-15-13-18/h17,19H,4-16H2,1-3H3
InChIKeyHGEBIGRCSIIVAF-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
(4-octyloxan-4-yl)methanol
CID 66024090
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966

Frequently Asked Questions

What is the IUPAC name of N-[(4-nonyloxan-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-nonyloxan-4-yl)methyl]propan-2-amine (CID 63502493) is N-[(4-nonyloxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-nonyloxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-nonyloxan-4-yl)methyl]propan-2-amine is CCCCCCCCCC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[(4-nonyloxan-4-yl)methyl]propan-2-amine?
The InChIKey is HGEBIGRCSIIVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-18(16-19-17(2)3)12-14-20-15-13-18/h17,19H,4-16H2,1-3H3.
What are the key properties of N-[(4-nonyloxan-4-yl)methyl]propan-2-amine?
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nonyloxan-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63502493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).