(E)-N,2-dimethyl-3-propylhex-3-en-1-imine

C11H21N — CID 134478046

IUPAC(E)-N,2-dimethyl-3-propylhex-3-en-1-imine
SMILESCC/C=C(\CCC)C(C)/C=N/C
InChIInChI=1S/C11H21N/c1-5-7-11(8-6-2)10(3)9-12-4/h7,9-10H,5-6,8H2,1-4H3/b11-7+,12-9+
InChIKeyQRBKPFKDINGIHK-HNWKWBPYSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds5

About (E)-N,2-dimethyl-3-propylhex-3-en-1-imine

(E)-N,2-dimethyl-3-propylhex-3-en-1-imine (PubChem CID 134478046) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-propylhex-3-en-1-imine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-propylhex-3-en-1-imine
PubChem CID134478046
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-N,2-dimethyl-3-propylhex-3-en-1-imine
SMILESCC/C=C(\CCC)C(C)/C=N/C
InChIInChI=1S/C11H21N/c1-5-7-11(8-6-2)10(3)9-12-4/h7,9-10H,5-6,8H2,1-4H3/b11-7+,12-9+
InChIKeyQRBKPFKDINGIHK-HNWKWBPYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Octenal, 3,7-dimethyl-, oxime
CID 89723
3,7-Dimethyloct-6-enal oxime
CID 5382814
Squalene N-methylimine
CID 6450082
5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine
CID 91142161
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
N-ethyl-2-[4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]propan-1-imine
CID 169687567
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
Citronellal oxime
CID 6299203
2,6-dimethyl-N-propan-2-ylhept-5-en-1-imine oxide
CID 170783293
N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine
CID 11010711
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine
CID 15367094
Citronellalaldoxim
CID 71608065

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-3-propylhex-3-en-1-imine?
The IUPAC name of (E)-N,2-dimethyl-3-propylhex-3-en-1-imine (CID 134478046) is (E)-N,2-dimethyl-3-propylhex-3-en-1-imine.
What is the SMILES notation for (E)-N,2-dimethyl-3-propylhex-3-en-1-imine?
The canonical SMILES for (E)-N,2-dimethyl-3-propylhex-3-en-1-imine is CC/C=C(\CCC)C(C)/C=N/C.
What is the InChIKey of (E)-N,2-dimethyl-3-propylhex-3-en-1-imine?
The InChIKey is QRBKPFKDINGIHK-HNWKWBPYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-11(8-6-2)10(3)9-12-4/h7,9-10H,5-6,8H2,1-4H3/b11-7+,12-9+.
What are the key properties of (E)-N,2-dimethyl-3-propylhex-3-en-1-imine?
(E)-N,2-dimethyl-3-propylhex-3-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-propylhex-3-en-1-imine is sourced from PubChem (CID 134478046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).