2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol

C10H20N2O — CID 79507799

IUPAC2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol
SMILESCC(C)(CO)NC1=NCCCCC1
InChIInChI=1S/C10H20N2O/c1-10(2,8-13)12-9-6-4-3-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyFGZDYDNQCAXWIV-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.32
Rot. Bonds2

About 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol

2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol (PubChem CID 79507799) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol
PubChem CID79507799
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol
SMILESCC(C)(CO)NC1=NCCCCC1
InChIInChI=1S/C10H20N2O/c1-10(2,8-13)12-9-6-4-3-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyFGZDYDNQCAXWIV-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol (CID 79507799) is 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol is CC(C)(CO)NC1=NCCCCC1.
What is the InChIKey of 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol?
The InChIKey is FGZDYDNQCAXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,8-13)12-9-6-4-3-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol?
2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol is sourced from PubChem (CID 79507799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).