1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine

C15H29N5S — CID 64649712

IUPAC1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CSc1nnnn1C1CCCC1)C(C)(C)C
InChIInChI=1S/C15H29N5S/c1-5-10-16-13(15(2,3)4)11-21-14-17-18-19-20(14)12-8-6-7-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyZKOIFHKVEQJNLN-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.29
Rot. Bonds7

About 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine

1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 64649712) has the molecular formula C15H29N5S and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID64649712
Molecular FormulaC15H29N5S
Molecular Weight311.50 g/mol
Exact Mass311.21
IUPAC Name1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CSc1nnnn1C1CCCC1)C(C)(C)C
InChIInChI=1S/C15H29N5S/c1-5-10-16-13(15(2,3)4)11-21-14-17-18-19-20(14)12-8-6-7-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyZKOIFHKVEQJNLN-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64648944
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
5-[2-(bromomethyl)-3-methylbutyl]sulfanyl-1-cyclopentyltetrazole
CID 65011776
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 63901665
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
CID 55145079
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64650320
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine (CID 64649712) is 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(CSc1nnnn1C1CCCC1)C(C)(C)C.
What is the InChIKey of 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is ZKOIFHKVEQJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5S/c1-5-10-16-13(15(2,3)4)11-21-14-17-18-19-20(14)12-8-6-7-9-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine?
1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 64649712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).