1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol

C18H29NO3 — CID 59601516

IUPAC1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CCCC1COC(C)(C)O1
InChIInChI=1S/C18H29NO3/c1-18(2)21-14-17(22-18)11-7-10-16(20)13-19(3)12-15-8-5-4-6-9-15/h4-6,8-9,16-17,20H,7,10-14H2,1-3H3
InChIKeyMNKCXSBEMDMRPE-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.80
Rot. Bonds8

About 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol

1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol (PubChem CID 59601516) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol
PubChem CID59601516
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CCCC1COC(C)(C)O1
InChIInChI=1S/C18H29NO3/c1-18(2)21-14-17(22-18)11-7-10-16(20)13-19(3)12-15-8-5-4-6-9-15/h4-6,8-9,16-17,20H,7,10-14H2,1-3H3
InChIKeyMNKCXSBEMDMRPE-UHFFFAOYSA-N
XLogP2.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-oxidomethanamine
CID 100917658
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 70506294
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
CID 11059758
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine;N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 158740131
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
methyl (E)-2-[[benzyl(methyl)amino]methyl]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 24787371
2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
CID 177308908
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]hydroxylamine
CID 11425957

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol (CID 59601516) is 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol is CN(Cc1ccccc1)CC(O)CCCC1COC(C)(C)O1.
What is the InChIKey of 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol?
The InChIKey is MNKCXSBEMDMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-18(2)21-14-17(22-18)11-7-10-16(20)13-19(3)12-15-8-5-4-6-9-15/h4-6,8-9,16-17,20H,7,10-14H2,1-3H3.
What are the key properties of 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol?
1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol has a molecular weight of 307.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol is sourced from PubChem (CID 59601516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).