1-(2-methylidenebutyl)-1,4-diazepan-6-ol

C10H20N2O — CID 130542357

IUPAC1-(2-methylidenebutyl)-1,4-diazepan-6-ol
SMILESC=C(CC)CN1CCNCC(O)C1
InChIInChI=1S/C10H20N2O/c1-3-9(2)7-12-5-4-11-6-10(13)8-12/h10-11,13H,2-8H2,1H3
InChIKeyXMEBKNIXGKFJLA-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds3

About 1-(2-methylidenebutyl)-1,4-diazepan-6-ol

1-(2-methylidenebutyl)-1,4-diazepan-6-ol (PubChem CID 130542357) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-methylidenebutyl)-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-(2-methylidenebutyl)-1,4-diazepan-6-ol
PubChem CID130542357
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(2-methylidenebutyl)-1,4-diazepan-6-ol
SMILESC=C(CC)CN1CCNCC(O)C1
InChIInChI=1S/C10H20N2O/c1-3-9(2)7-12-5-4-11-6-10(13)8-12/h10-11,13H,2-8H2,1H3
InChIKeyXMEBKNIXGKFJLA-UHFFFAOYSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
CID 104977151
1-but-3-enyl-1,4-diazepan-6-ol
CID 130542380
3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide
CID 126980030
3-ethyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 114511194
N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine
CID 115300685
1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
CID 66046701
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
CID 130542390
(4aS,7aS)-6-(2-methylidenebutyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683076
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol
CID 126978381
1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol
CID 103069751

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenebutyl)-1,4-diazepan-6-ol?
The IUPAC name of 1-(2-methylidenebutyl)-1,4-diazepan-6-ol (CID 130542357) is 1-(2-methylidenebutyl)-1,4-diazepan-6-ol.
What is the SMILES notation for 1-(2-methylidenebutyl)-1,4-diazepan-6-ol?
The canonical SMILES for 1-(2-methylidenebutyl)-1,4-diazepan-6-ol is C=C(CC)CN1CCNCC(O)C1.
What is the InChIKey of 1-(2-methylidenebutyl)-1,4-diazepan-6-ol?
The InChIKey is XMEBKNIXGKFJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-9(2)7-12-5-4-11-6-10(13)8-12/h10-11,13H,2-8H2,1H3.
What are the key properties of 1-(2-methylidenebutyl)-1,4-diazepan-6-ol?
1-(2-methylidenebutyl)-1,4-diazepan-6-ol has a molecular weight of 184.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenebutyl)-1,4-diazepan-6-ol is sourced from PubChem (CID 130542357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).