2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol

C14H18N2O — CID 144590741

IUPAC2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol
SMILESC=C1CCC(O)C(N)=C1NCc1ccccc1
InChIInChI=1S/C14H18N2O/c1-10-7-8-12(17)13(15)14(10)16-9-11-5-3-2-4-6-11/h2-6,12,16-17H,1,7-9,15H2
InChIKeyJKSRQWDYZGGJSF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol

2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol (PubChem CID 144590741) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol
PubChem CID144590741
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol
SMILESC=C1CCC(O)C(N)=C1NCc1ccccc1
InChIInChI=1S/C14H18N2O/c1-10-7-8-12(17)13(15)14(10)16-9-11-5-3-2-4-6-11/h2-6,12,16-17H,1,7-9,15H2
InChIKeyJKSRQWDYZGGJSF-UHFFFAOYSA-N
XLogP1.66
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-yl] N-propan-2-ylcarbamate
CID 144590732
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
3-amino-2-(benzylamino)phenol
CID 162373513
1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol
CID 90082611
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
2-N-benzyl-3-methoxycyclohexene-1,2-diamine
CID 144590770
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
4-(benzylamino)phenol;hydrochloride
CID 16738613
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
CID 163931246
CID 163931246
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol?
The IUPAC name of 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol (CID 144590741) is 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol.
What is the SMILES notation for 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol?
The canonical SMILES for 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol is C=C1CCC(O)C(N)=C1NCc1ccccc1.
What is the InChIKey of 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol?
The InChIKey is JKSRQWDYZGGJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-7-8-12(17)13(15)14(10)16-9-11-5-3-2-4-6-11/h2-6,12,16-17H,1,7-9,15H2.
What are the key properties of 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol?
2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol has a molecular weight of 230.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol is sourced from PubChem (CID 144590741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).