1-(benzylamino)-3-methylidenepentan-2-ol

C13H19NO — CID 131995330

IUPAC1-(benzylamino)-3-methylidenepentan-2-ol
SMILESC=C(CC)C(O)CNCc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-11(2)13(15)10-14-9-12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-10H2,1H3
InChIKeyNSQCSLZYGBNPGO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds6

About 1-(benzylamino)-3-methylidenepentan-2-ol

1-(benzylamino)-3-methylidenepentan-2-ol (PubChem CID 131995330) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(benzylamino)-3-methylidenepentan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-methylidenepentan-2-ol
PubChem CID131995330
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(benzylamino)-3-methylidenepentan-2-ol
SMILESC=C(CC)C(O)CNCc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-11(2)13(15)10-14-9-12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-10H2,1H3
InChIKeyNSQCSLZYGBNPGO-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-2-phenylbutan-1-amine
CID 60658494
2-[(benzylamino)methyl]-3-hydroxypentanenitrile
CID 19099320
N-benzylethanamine;tris(yttrium)
CID 158198357
2-[(benzylamino)methyl]butanamide
CID 71433052
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(2S)-3-(benzylamino)-1,1,1-trichloropropan-2-ol
CID 131850472
1-(benzylamino)octan-2-ol
CID 71341698
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol
CID 11337812
1-(benzylamino)decan-2-ol
CID 42614665
N-benzylbut-1-en-2-amine
CID 12705420

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-methylidenepentan-2-ol?
The IUPAC name of 1-(benzylamino)-3-methylidenepentan-2-ol (CID 131995330) is 1-(benzylamino)-3-methylidenepentan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-methylidenepentan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-methylidenepentan-2-ol is C=C(CC)C(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3-methylidenepentan-2-ol?
The InChIKey is NSQCSLZYGBNPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11(2)13(15)10-14-9-12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-10H2,1H3.
What are the key properties of 1-(benzylamino)-3-methylidenepentan-2-ol?
1-(benzylamino)-3-methylidenepentan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-methylidenepentan-2-ol is sourced from PubChem (CID 131995330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).