2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine

C9H17NS — CID 144892361

IUPAC2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine
SMILESC=C(CC(C)(C)N)S/C=C\C
InChIInChI=1S/C9H17NS/c1-5-6-11-8(2)7-9(3,4)10/h5-6H,2,7,10H2,1,3-4H3/b6-5-
InChIKeyNMHSYJPMTLYMSC-WAYWQWQTSA-N
MW171.31 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine

2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine (PubChem CID 144892361) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine.

Molecular Properties

Compound Name2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine
PubChem CID144892361
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine
SMILESC=C(CC(C)(C)N)S/C=C\C
InChIInChI=1S/C9H17NS/c1-5-6-11-8(2)7-9(3,4)10/h5-6H,2,7,10H2,1,3-4H3/b6-5-
InChIKeyNMHSYJPMTLYMSC-WAYWQWQTSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine?
The IUPAC name of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine (CID 144892361) is 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine.
What is the SMILES notation for 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine?
The canonical SMILES for 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine is C=C(CC(C)(C)N)S/C=C\C.
What is the InChIKey of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine?
The InChIKey is NMHSYJPMTLYMSC-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-6-11-8(2)7-9(3,4)10/h5-6H,2,7,10H2,1,3-4H3/b6-5-.
What are the key properties of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine?
2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine has a molecular weight of 171.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine is sourced from PubChem (CID 144892361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).