N-(1-thiophen-2-ylbutyl)nonan-2-amine

C17H31NS — CID 63456215

IUPACN-(1-thiophen-2-ylbutyl)nonan-2-amine
SMILESCCCCCCCC(C)NC(CCC)c1cccs1
InChIInChI=1S/C17H31NS/c1-4-6-7-8-9-12-15(3)18-16(11-5-2)17-13-10-14-19-17/h10,13-16,18H,4-9,11-12H2,1-3H3
InChIKeyKBJGDEMPZFCDIH-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.93
Rot. Bonds11

About N-(1-thiophen-2-ylbutyl)nonan-2-amine

N-(1-thiophen-2-ylbutyl)nonan-2-amine (PubChem CID 63456215) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)nonan-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)nonan-2-amine
PubChem CID63456215
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-(1-thiophen-2-ylbutyl)nonan-2-amine
SMILESCCCCCCCC(C)NC(CCC)c1cccs1
InChIInChI=1S/C17H31NS/c1-4-6-7-8-9-12-15(3)18-16(11-5-2)17-13-10-14-19-17/h10,13-16,18H,4-9,11-12H2,1-3H3
InChIKeyKBJGDEMPZFCDIH-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.93
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

5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
2-tetradecan-7-ylthiophene
CID 137450901
N-(1-phenylpentyl)octan-2-amine
CID 43791089
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
2-heptadecan-5-ylthiophene
CID 19734009
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)nonan-2-amine?
The IUPAC name of N-(1-thiophen-2-ylbutyl)nonan-2-amine (CID 63456215) is N-(1-thiophen-2-ylbutyl)nonan-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)nonan-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)nonan-2-amine is CCCCCCCC(C)NC(CCC)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)nonan-2-amine?
The InChIKey is KBJGDEMPZFCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-4-6-7-8-9-12-15(3)18-16(11-5-2)17-13-10-14-19-17/h10,13-16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-(1-thiophen-2-ylbutyl)nonan-2-amine?
N-(1-thiophen-2-ylbutyl)nonan-2-amine has a molecular weight of 281.51 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)nonan-2-amine is sourced from PubChem (CID 63456215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).