N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine

C14H26N2 — CID 123919390

IUPACN,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
SMILESC=C(C)C(C)C(=CC(C)C(C)NC)/C=N/C
InChIInChI=1S/C14H26N2/c1-10(2)12(4)14(9-15-6)8-11(3)13(5)16-7/h8-9,11-13,16H,1H2,2-7H3/b14-8?,15-9+
InChIKeyJXTGCWMQOQCDRF-LLMPCGPXSA-N
MW222.38 g/mol
LogP3.07
Rot. Bonds6

About N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine

N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine (PubChem CID 123919390) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine.

Molecular Properties

Compound NameN,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
PubChem CID123919390
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
SMILESC=C(C)C(C)C(=CC(C)C(C)NC)/C=N/C
InChIInChI=1S/C14H26N2/c1-10(2)12(4)14(9-15-6)8-11(3)13(5)16-7/h8-9,11-13,16H,1H2,2-7H3/b14-8?,15-9+
InChIKeyJXTGCWMQOQCDRF-LLMPCGPXSA-N
XLogP3.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine
CID 146537270
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine
CID 123239793
N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine
CID 123368831
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
(4S)-3,4-dimethyl-N,6-di(propan-2-yl)-4H-azepin-2-amine
CID 130223834
(5E)-N-ethyl-3,6,8-trimethyl-2,3,4,7,8,9-hexahydroazecin-9-amine
CID 132037049
(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
CID 134339579

Frequently Asked Questions

What is the IUPAC name of N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine?
The IUPAC name of N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine (CID 123919390) is N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine.
What is the SMILES notation for N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine?
The canonical SMILES for N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine is C=C(C)C(C)C(=CC(C)C(C)NC)/C=N/C.
What is the InChIKey of N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine?
The InChIKey is JXTGCWMQOQCDRF-LLMPCGPXSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(2)12(4)14(9-15-6)8-11(3)13(5)16-7/h8-9,11-13,16H,1H2,2-7H3/b14-8?,15-9+.
What are the key properties of N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine?
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine is sourced from PubChem (CID 123919390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).