N-tert-butyl-3-methyl-2-octoxybutan-1-amine

C17H37NO — CID 55195436

IUPACN-tert-butyl-3-methyl-2-octoxybutan-1-amine
SMILESCCCCCCCCOC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H37NO/c1-7-8-9-10-11-12-13-19-16(15(2)3)14-18-17(4,5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyJTPAVBPHCIRJFB-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds11

About N-tert-butyl-3-methyl-2-octoxybutan-1-amine

N-tert-butyl-3-methyl-2-octoxybutan-1-amine (PubChem CID 55195436) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-octoxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-octoxybutan-1-amine
PubChem CID55195436
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-tert-butyl-3-methyl-2-octoxybutan-1-amine
SMILESCCCCCCCCOC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H37NO/c1-7-8-9-10-11-12-13-19-16(15(2)3)14-18-17(4,5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyJTPAVBPHCIRJFB-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
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-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444012
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-tert-butyl-2-methoxy-3-methylbutan-1-amine
CID 62445419
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
N,2-ditert-butylundecan-1-amine
CID 83138846
N,2-ditert-butyldodecan-1-amine
CID 83141382
N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
CID 103074508
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
1-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
1-pentoxyethanethiol
CID 173039509
2,2-dimethyl-3-pentoxypentane
CID 23119504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-octoxybutan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-octoxybutan-1-amine (CID 55195436) is N-tert-butyl-3-methyl-2-octoxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-octoxybutan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-octoxybutan-1-amine is CCCCCCCCOC(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-octoxybutan-1-amine?
The InChIKey is JTPAVBPHCIRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-7-8-9-10-11-12-13-19-16(15(2)3)14-18-17(4,5)6/h15-16,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-3-methyl-2-octoxybutan-1-amine?
N-tert-butyl-3-methyl-2-octoxybutan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-octoxybutan-1-amine is sourced from PubChem (CID 55195436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).