(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol

C19H25NO — CID 70834153

IUPAC(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
SMILESC[C@@H](NC/C=C/C(C)(C)CO)c1cccc2ccccc12
InChIInChI=1S/C19H25NO/c1-15(20-13-7-12-19(2,3)14-21)17-11-6-9-16-8-4-5-10-18(16)17/h4-12,15,20-21H,13-14H2,1-3H3/b12-7+/t15-/m1/s1
InChIKeySSMDZCMRXOQHTM-CUXKMMBLSA-N
MW283.42 g/mol
LogP4.07
Rot. Bonds6

About (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol

(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol (PubChem CID 70834153) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol.

Molecular Properties

Compound Name(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
PubChem CID70834153
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
SMILESC[C@@H](NC/C=C/C(C)(C)CO)c1cccc2ccccc12
InChIInChI=1S/C19H25NO/c1-15(20-13-7-12-19(2,3)14-21)17-11-6-9-16-8-4-5-10-18(16)17/h4-12,15,20-21H,13-14H2,1-3H3/b12-7+/t15-/m1/s1
InChIKeySSMDZCMRXOQHTM-CUXKMMBLSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol with MolForge

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Related Compounds

N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide
CID 89013909
benzyl (Z)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enoate
CID 70834358
methyl (E)-2,2-dimethyl-6-[[(1R)-1-naphthalen-1-ylethyl]amino]hex-4-enoate
CID 70834224
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
1-[(E)-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]-3-propylurea
CID 70834351
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol?
The IUPAC name of (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol (CID 70834153) is (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol.
What is the SMILES notation for (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol?
The canonical SMILES for (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol is C[C@@H](NC/C=C/C(C)(C)CO)c1cccc2ccccc12.
What is the InChIKey of (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol?
The InChIKey is SSMDZCMRXOQHTM-CUXKMMBLSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(20-13-7-12-19(2,3)14-21)17-11-6-9-16-8-4-5-10-18(16)17/h4-12,15,20-21H,13-14H2,1-3H3/b12-7+/t15-/m1/s1.
What are the key properties of (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol?
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol is sourced from PubChem (CID 70834153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).