(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine

C11H23N — CID 138725680

IUPAC(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine
SMILESCCC/C=C(\C)N(C)[C@@H](C)CC
InChIInChI=1S/C11H23N/c1-6-8-9-11(4)12(5)10(3)7-2/h9-10H,6-8H2,1-5H3/b11-9+/t10-/m0/s1
InChIKeyGZJHZWLLLNSWOG-SPQRFVMMSA-N
MW169.31 g/mol
LogP3.42
Rot. Bonds5

About (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine

(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine (PubChem CID 138725680) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine
PubChem CID138725680
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine
SMILESCCC/C=C(\C)N(C)[C@@H](C)CC
InChIInChI=1S/C11H23N/c1-6-8-9-11(4)12(5)10(3)7-2/h9-10H,6-8H2,1-5H3/b11-9+/t10-/m0/s1
InChIKeyGZJHZWLLLNSWOG-SPQRFVMMSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine
CID 129237962
3-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
2-propan-2-yloxyhex-2-ene
CID 123193761
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
(E)-2-chlorohex-2-ene
CID 19796923
(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine
CID 174502351
N,N-di(propan-2-yl)oct-4-en-4-amine
CID 141319755
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
4-butan-2-yl-2,3-dimethyloct-4-ene
CID 123920720
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208
1-N,1-N'-di(propan-2-yl)pent-1-ene-1,1-diamine
CID 139931013

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine?
The IUPAC name of (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine (CID 138725680) is (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine.
What is the SMILES notation for (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine?
The canonical SMILES for (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine is CCC/C=C(\C)N(C)[C@@H](C)CC.
What is the InChIKey of (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine?
The InChIKey is GZJHZWLLLNSWOG-SPQRFVMMSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-9-11(4)12(5)10(3)7-2/h9-10H,6-8H2,1-5H3/b11-9+/t10-/m0/s1.
What are the key properties of (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine?
(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine is sourced from PubChem (CID 138725680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).