5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine

C13H21NO — CID 123645511

IUPAC5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
SMILESCCC(N)CC(C)=C1CC=CC=C1OC
InChIInChI=1S/C13H21NO/c1-4-11(14)9-10(2)12-7-5-6-8-13(12)15-3/h5-6,8,11H,4,7,9,14H2,1-3H3
InChIKeyKPZAROPJDYUZJS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds4

About 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine

5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine (PubChem CID 123645511) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine.

Molecular Properties

Compound Name5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
PubChem CID123645511
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
SMILESCCC(N)CC(C)=C1CC=CC=C1OC
InChIInChI=1S/C13H21NO/c1-4-11(14)9-10(2)12-7-5-6-8-13(12)15-3/h5-6,8,11H,4,7,9,14H2,1-3H3
InChIKeyKPZAROPJDYUZJS-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(r)-2,4-Dimethoxy-4-iodoamphetamine
CID 164885996
3-Methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 169921220
2,5-Dimethoxy-5-methylamphetamine
CID 129703160
2-Ethyl-4-methoxy-2-methylanilinium bromide
CID 129704265
2,4-Dimethoxy-4-methylamphetamine
CID 134811472
4-(5-Methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-amine
CID 68200193
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
2,4-Dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine
CID 70892512
1-(6-Methoxy-6,7-dihydronaphthalen-2-yl)propan-2-amine
CID 70917892
4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
1-(2-Methoxy-5-methylidene-4-sulfanyloxycyclohexa-1,3-dien-1-yl)propan-2-amine
CID 87406793
4-(2-Aminopropyl)-2,3-dimethoxycyclohexa-2,4-diene-1-thione
CID 87840511

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine?
The IUPAC name of 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine (CID 123645511) is 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine.
What is the SMILES notation for 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine?
The canonical SMILES for 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine is CCC(N)CC(C)=C1CC=CC=C1OC.
What is the InChIKey of 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine?
The InChIKey is KPZAROPJDYUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(14)9-10(2)12-7-5-6-8-13(12)15-3/h5-6,8,11H,4,7,9,14H2,1-3H3.
What are the key properties of 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine?
5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine is sourced from PubChem (CID 123645511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).