4-(aminomethyl)-1-propan-2-ylazepan-4-ol

C10H22N2O — CID 65077343

IUPAC4-(aminomethyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(CN)CC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-6-3-4-10(13,8-11)5-7-12/h9,13H,3-8,11H2,1-2H3
InChIKeySHWXRVMPJKECND-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds2

About 4-(aminomethyl)-1-propan-2-ylazepan-4-ol

4-(aminomethyl)-1-propan-2-ylazepan-4-ol (PubChem CID 65077343) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-propan-2-ylazepan-4-ol
PubChem CID65077343
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(aminomethyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(CN)CC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-6-3-4-10(13,8-11)5-7-12/h9,13H,3-8,11H2,1-2H3
InChIKeySHWXRVMPJKECND-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(aminomethyl)-1-propan-2-ylazepan-4-ol (CID 65077343) is 4-(aminomethyl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-propan-2-ylazepan-4-ol?
The InChIKey is SHWXRVMPJKECND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12-6-3-4-10(13,8-11)5-7-12/h9,13H,3-8,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-ylazepan-4-ol?
4-(aminomethyl)-1-propan-2-ylazepan-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).