[4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol

C10H17NO — CID 122535947

IUPAC[4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESCCC(N)C1=CC=C(CO)CC1
InChIInChI=1S/C10H17NO/c1-2-10(11)9-5-3-8(7-12)4-6-9/h3,5,10,12H,2,4,6-7,11H2,1H3
InChIKeyRZAHGGMJKURJAE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds3

About [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol

[4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 122535947) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID122535947
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESCCC(N)C1=CC=C(CO)CC1
InChIInChI=1S/C10H17NO/c1-2-10(11)9-5-3-8(7-12)4-6-9/h3,5,10,12H,2,4,6-7,11H2,1H3
InChIKeyRZAHGGMJKURJAE-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 59105924
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
[(4R)-4-aminocyclohexen-1-yl]methanol
CID 68030647
2-[Amino(cyclohexen-1-yl)methyl]prop-2-en-1-ol
CID 68213306
(1S,2R)-2-amino-1-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 68242647
(4-Aminocyclohexen-1-yl)methanol
CID 77396469
2-Amino-3-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 88988439
(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
CID 89050113
2-Amino-1-(4-aminocyclohexen-1-yl)ethanol
CID 89153925
(5-Amino-3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 89289041
[4-[3-(Methylamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-yl]methanol
CID 117808375
[(4S)-4-aminocyclohexen-1-yl]methanol
CID 121405434

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol (CID 122535947) is [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol is CCC(N)C1=CC=C(CO)CC1.
What is the InChIKey of [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is RZAHGGMJKURJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-10(11)9-5-3-8(7-12)4-6-9/h3,5,10,12H,2,4,6-7,11H2,1H3.
What are the key properties of [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol?
[4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 122535947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).