N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine

C17H31NS — CID 6421755

IUPACN-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCCCN(CCCCCC)Cc1cccs1
InChIInChI=1S/C17H31NS/c1-3-5-7-9-13-18(14-10-8-6-4-2)16-17-12-11-15-19-17/h11-12,15H,3-10,13-14,16H2,1-2H3
InChIKeyYTBOEABXFBENKM-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.71
Rot. Bonds12

About N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine

N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine (PubChem CID 6421755) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
PubChem CID6421755
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCCCN(CCCCCC)Cc1cccs1
InChIInChI=1S/C17H31NS/c1-3-5-7-9-13-18(14-10-8-6-4-2)16-17-12-11-15-19-17/h11-12,15H,3-10,13-14,16H2,1-2H3
InChIKeyYTBOEABXFBENKM-UHFFFAOYSA-N
XLogP5.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
ethane;2-pentylthiophene
CID 143883800
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
methane;2-undecylthiophene
CID 175504380
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
2-butylthiophene;methanamine
CID 143080300
2-(5-pentoxypentyl)thiophene
CID 91586139
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
pentane;2-thiophen-2-ylethanol
CID 70273807
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
The IUPAC name of N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine (CID 6421755) is N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
The canonical SMILES for N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine is CCCCCCN(CCCCCC)Cc1cccs1.
What is the InChIKey of N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
The InChIKey is YTBOEABXFBENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-5-7-9-13-18(14-10-8-6-4-2)16-17-12-11-15-19-17/h11-12,15H,3-10,13-14,16H2,1-2H3.
What are the key properties of N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 6421755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).