10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol

C15H30N2S — CID 89275336

IUPAC10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol
SMILESC=C(N)CCCCC(S)C(C)C(CC)NC(=C)C
InChIInChI=1S/C15H30N2S/c1-6-14(17-11(2)3)13(5)15(18)10-8-7-9-12(4)16/h13-15,17-18H,2,4,6-10,16H2,1,3,5H3
InChIKeyTYMJWEOHHPVION-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.86
Rot. Bonds10

About 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol

10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol (PubChem CID 89275336) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol.

Molecular Properties

Compound Name10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol
PubChem CID89275336
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol
SMILESC=C(N)CCCCC(S)C(C)C(CC)NC(=C)C
InChIInChI=1S/C15H30N2S/c1-6-14(17-11(2)3)13(5)15(18)10-8-7-9-12(4)16/h13-15,17-18H,2,4,6-10,16H2,1,3,5H3
InChIKeyTYMJWEOHHPVION-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol?
The IUPAC name of 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol (CID 89275336) is 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol.
What is the SMILES notation for 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol?
The canonical SMILES for 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol is C=C(N)CCCCC(S)C(C)C(CC)NC(=C)C.
What is the InChIKey of 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol?
The InChIKey is TYMJWEOHHPVION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-6-14(17-11(2)3)13(5)15(18)10-8-7-9-12(4)16/h13-15,17-18H,2,4,6-10,16H2,1,3,5H3.
What are the key properties of 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol?
10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol has a molecular weight of 270.49 g/mol, XLogP of 3.86, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol is sourced from PubChem (CID 89275336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).