5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine

C16H29NS — CID 43722998

IUPAC5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
SMILESCCC(C)CC(CC)NC(c1cccs1)C(C)C
InChIInChI=1S/C16H29NS/c1-6-13(5)11-14(7-2)17-16(12(3)4)15-9-8-10-18-15/h8-10,12-14,16-17H,6-7,11H2,1-5H3
InChIKeyPRVFMBGNWNYBNL-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.25
Rot. Bonds8

About 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine

5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine (PubChem CID 43722998) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
PubChem CID43722998
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
SMILESCCC(C)CC(CC)NC(c1cccs1)C(C)C
InChIInChI=1S/C16H29NS/c1-6-13(5)11-14(7-2)17-16(12(3)4)15-9-8-10-18-15/h8-10,12-14,16-17H,6-7,11H2,1-5H3
InChIKeyPRVFMBGNWNYBNL-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43106519
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 54953108
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine?
The IUPAC name of 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine (CID 43722998) is 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine is CCC(C)CC(CC)NC(c1cccs1)C(C)C.
What is the InChIKey of 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine?
The InChIKey is PRVFMBGNWNYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-6-13(5)11-14(7-2)17-16(12(3)4)15-9-8-10-18-15/h8-10,12-14,16-17H,6-7,11H2,1-5H3.
What are the key properties of 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine?
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine has a molecular weight of 267.48 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine is sourced from PubChem (CID 43722998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).