2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol

C14H30N2O — CID 137439202

IUPAC2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol
SMILESCC1N(C(C)(C)C(C)CO)CCNCC1(C)C
InChIInChI=1S/C14H30N2O/c1-11(9-17)14(5,6)16-8-7-15-10-13(3,4)12(16)2/h11-12,15,17H,7-10H2,1-6H3
InChIKeyRFRSFROKMSRMBN-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds3

About 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol

2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol (PubChem CID 137439202) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol
PubChem CID137439202
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol
SMILESCC1N(C(C)(C)C(C)CO)CCNCC1(C)C
InChIInChI=1S/C14H30N2O/c1-11(9-17)14(5,6)16-8-7-15-10-13(3,4)12(16)2/h11-12,15,17H,7-10H2,1-6H3
InChIKeyRFRSFROKMSRMBN-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol?
The IUPAC name of 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol (CID 137439202) is 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol?
The canonical SMILES for 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol is CC1N(C(C)(C)C(C)CO)CCNCC1(C)C.
What is the InChIKey of 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol?
The InChIKey is RFRSFROKMSRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(9-17)14(5,6)16-8-7-15-10-13(3,4)12(16)2/h11-12,15,17H,7-10H2,1-6H3.
What are the key properties of 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol?
2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(6,6,7-trimethyl-1,4-diazepan-1-yl)butan-1-ol is sourced from PubChem (CID 137439202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).