2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine

C12H22N2O — CID 142994221

IUPAC2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
SMILESCC(CN)OC1CC=CC=C1CCCN
InChIInChI=1S/C12H22N2O/c1-10(9-14)15-12-7-3-2-5-11(12)6-4-8-13/h2-3,5,10,12H,4,6-9,13-14H2,1H3
InChIKeyPJVDEKDJQJPLMG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine

2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine (PubChem CID 142994221) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
PubChem CID142994221
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
SMILESCC(CN)OC1CC=CC=C1CCCN
InChIInChI=1S/C12H22N2O/c1-10(9-14)15-12-7-3-2-5-11(12)6-4-8-13/h2-3,5,10,12H,4,6-9,13-14H2,1H3
InChIKeyPJVDEKDJQJPLMG-UHFFFAOYSA-N
XLogP1.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
CID 22004817
(1S,2R,3R)-5-methyl-3-pentan-3-yloxycyclohex-4-ene-1,2-diamine
CID 71026500
[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine
CID 129015888
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
[(2S,6R)-6-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]oxan-2-yl]methanamine
CID 129191872
[(4Z)-4-ethylidene-5-methylideneoxolan-2-yl]methanamine
CID 130191118
[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
CID 134408152
2-(2,3,4,5-tetrahydro-1H-inden-5-yloxy)ethanamine
CID 141057839
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
2-(Cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
CID 143456439
(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
CID 143585699

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine?
The IUPAC name of 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine (CID 142994221) is 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine.
What is the SMILES notation for 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine?
The canonical SMILES for 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine is CC(CN)OC1CC=CC=C1CCCN.
What is the InChIKey of 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine?
The InChIKey is PJVDEKDJQJPLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(9-14)15-12-7-3-2-5-11(12)6-4-8-13/h2-3,5,10,12H,4,6-9,13-14H2,1H3.
What are the key properties of 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine?
2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine is sourced from PubChem (CID 142994221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).