1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine

C20H29NS — CID 10018606

IUPAC1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C20H29NS/c1-3-14-21(15-4-2)20(12-8-5-9-13-20)19-16-17-10-6-7-11-18(17)22-19/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3
InChIKeyQUUZTLVOWZZZSZ-UHFFFAOYSA-N
MW315.53 g/mol
LogP6.18
Rot. Bonds6

About 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine (PubChem CID 10018606) has the molecular formula C20H29NS and a molecular weight of 315.53 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine
PubChem CID10018606
Molecular FormulaC20H29NS
Molecular Weight315.53 g/mol
Exact Mass315.20
IUPAC Name1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C20H29NS/c1-3-14-21(15-4-2)20(12-8-5-9-13-20)19-16-17-10-6-7-11-18(17)22-19/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3
InChIKeyQUUZTLVOWZZZSZ-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine (CID 10018606) is 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine is CCCN(CCC)C1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine?
The InChIKey is QUUZTLVOWZZZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NS/c1-3-14-21(15-4-2)20(12-8-5-9-13-20)19-16-17-10-6-7-11-18(17)22-19/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine has a molecular weight of 315.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N,N-dipropylcyclohexan-1-amine is sourced from PubChem (CID 10018606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).