(Z,3S)-N,2,3-trimethylpent-1-en-1-amine

C8H17N — CID 126746017

IUPAC(Z,3S)-N,2,3-trimethylpent-1-en-1-amine
SMILESCC[C@H](C)/C(C)=C\NC
InChIInChI=1S/C8H17N/c1-5-7(2)8(3)6-9-4/h6-7,9H,5H2,1-4H3/b8-6-/t7-/m0/s1
InChIKeyGHYKTLSCJBGHHL-VQKCLUMFSA-N
MW127.23 g/mol
LogP2.16
Rot. Bonds3

About (Z,3S)-N,2,3-trimethylpent-1-en-1-amine

(Z,3S)-N,2,3-trimethylpent-1-en-1-amine (PubChem CID 126746017) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (Z,3S)-N,2,3-trimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z,3S)-N,2,3-trimethylpent-1-en-1-amine
PubChem CID126746017
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(Z,3S)-N,2,3-trimethylpent-1-en-1-amine
SMILESCC[C@H](C)/C(C)=C\NC
InChIInChI=1S/C8H17N/c1-5-7(2)8(3)6-9-4/h6-7,9H,5H2,1-4H3/b8-6-/t7-/m0/s1
InChIKeyGHYKTLSCJBGHHL-VQKCLUMFSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-N,2,3-trimethylpent-1-en-1-amine?
The IUPAC name of (Z,3S)-N,2,3-trimethylpent-1-en-1-amine (CID 126746017) is (Z,3S)-N,2,3-trimethylpent-1-en-1-amine.
What is the SMILES notation for (Z,3S)-N,2,3-trimethylpent-1-en-1-amine?
The canonical SMILES for (Z,3S)-N,2,3-trimethylpent-1-en-1-amine is CC[C@H](C)/C(C)=C\NC.
What is the InChIKey of (Z,3S)-N,2,3-trimethylpent-1-en-1-amine?
The InChIKey is GHYKTLSCJBGHHL-VQKCLUMFSA-N. The full InChI is InChI=1S/C8H17N/c1-5-7(2)8(3)6-9-4/h6-7,9H,5H2,1-4H3/b8-6-/t7-/m0/s1.
What are the key properties of (Z,3S)-N,2,3-trimethylpent-1-en-1-amine?
(Z,3S)-N,2,3-trimethylpent-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-N,2,3-trimethylpent-1-en-1-amine is sourced from PubChem (CID 126746017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).