N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine

C16H33NO — CID 58451782

IUPACN-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine
SMILESC=C(C)CNCCCCCCCCCOC(C)C
InChIInChI=1S/C16H33NO/c1-15(2)14-17-12-10-8-6-5-7-9-11-13-18-16(3)4/h16-17H,1,5-14H2,2-4H3
InChIKeyJLDNOZSQEDLWPG-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.31
Rot. Bonds13

About N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine

N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine (PubChem CID 58451782) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine
PubChem CID58451782
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine
SMILESC=C(C)CNCCCCCCCCCOC(C)C
InChIInChI=1S/C16H33NO/c1-15(2)14-17-12-10-8-6-5-7-9-11-13-18-16(3)4/h16-17H,1,5-14H2,2-4H3
InChIKeyJLDNOZSQEDLWPG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-dodecan-2-yloxyprop-2-enyl)butan-1-amine
CID 87295531
N-(2-dodecoxyprop-2-enyl)butan-1-amine
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8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine
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N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine
CID 176612185
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine
CID 55078098
4-octoxy-N-propylpentan-1-amine
CID 62456827
N-(2-methylpropyl)-4-octoxypentan-1-amine
CID 63490229
N-ethyl-6-octan-2-yloxyhexan-1-amine
CID 64292156
N-(2-methylpropyl)-6-octan-2-yloxyhexan-1-amine
CID 64292360
6-octan-2-yloxy-N-propylhexan-1-amine
CID 64292570
N-tert-butyl-6-octan-2-yloxyhexan-1-amine
CID 64292572

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine (CID 58451782) is N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine is C=C(C)CNCCCCCCCCCOC(C)C.
What is the InChIKey of N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine?
The InChIKey is JLDNOZSQEDLWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2)14-17-12-10-8-6-5-7-9-11-13-18-16(3)4/h16-17H,1,5-14H2,2-4H3.
What are the key properties of N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine?
N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.31, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine is sourced from PubChem (CID 58451782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).