N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

C16H27N3S — CID 107555391

IUPACN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCN(C3CC3)CC2)s1
InChIInChI=1S/C16H27N3S/c1-13(2)17-11-15-5-6-16(20-15)12-18-7-9-19(10-8-18)14-3-4-14/h5-6,13-14,17H,3-4,7-12H2,1-2H3
InChIKeyBRRUQBJONOZNOS-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.53
Rot. Bonds6

About N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107555391) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107555391
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCN(C3CC3)CC2)s1
InChIInChI=1S/C16H27N3S/c1-13(2)17-11-15-5-6-16(20-15)12-18-7-9-19(10-8-18)14-3-4-14/h5-6,13-14,17H,3-4,7-12H2,1-2H3
InChIKeyBRRUQBJONOZNOS-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556740
N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555866
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555984
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557592
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557672
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555415
N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556725
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556334
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557554

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107555391) is N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN2CCN(C3CC3)CC2)s1.
What is the InChIKey of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is BRRUQBJONOZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-13(2)17-11-15-5-6-16(20-15)12-18-7-9-19(10-8-18)14-3-4-14/h5-6,13-14,17H,3-4,7-12H2,1-2H3.
What are the key properties of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107555391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).