N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine

C17H30N2S — CID 65078736

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC(C)Cc2ccc(C)s2)CC1
InChIInChI=1S/C17H30N2S/c1-4-10-19-11-5-6-16(9-12-19)18-14(2)13-17-8-7-15(3)20-17/h7-8,14,16,18H,4-6,9-13H2,1-3H3
InChIKeyNWTDKRSCEPXQHK-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine (PubChem CID 65078736) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
PubChem CID65078736
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC(C)Cc2ccc(C)s2)CC1
InChIInChI=1S/C17H30N2S/c1-4-10-19-11-5-6-16(9-12-19)18-14(2)13-17-8-7-15(3)20-17/h7-8,14,16,18H,4-6,9-13H2,1-3H3
InChIKeyNWTDKRSCEPXQHK-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
CID 65078689
1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
CID 103784638
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propylcycloheptan-1-amine
CID 65091722
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
CID 43182992
N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
CID 65078398
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
CID 115722163

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine (CID 65078736) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine is CCCN1CCCC(NC(C)Cc2ccc(C)s2)CC1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine?
The InChIKey is NWTDKRSCEPXQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-10-19-11-5-6-16(9-12-19)18-14(2)13-17-8-7-15(3)20-17/h7-8,14,16,18H,4-6,9-13H2,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine has a molecular weight of 294.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine is sourced from PubChem (CID 65078736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).