3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine

C16H35N3O — CID 103032982

IUPAC3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C16H35N3O/c1-5-15(7-9-17)19-11-6-10-18(13-14-19)12-8-16(2,3)20-4/h15H,5-14,17H2,1-4H3
InChIKeyUVDPLZRJBSTRTA-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.94
Rot. Bonds8

About 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine

3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 103032982) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID103032982
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C16H35N3O/c1-5-15(7-9-17)19-11-6-10-18(13-14-19)12-8-16(2,3)20-4/h15H,5-14,17H2,1-4H3
InChIKeyUVDPLZRJBSTRTA-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-amino-4-methoxy-4-methylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine;ethane
CID 142367475
3-[4-(3-Methoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 54935596
1-(4-Methoxy-4-methylpentan-2-yl)-1,4-diazepane
CID 61058092
N-[2-(azepan-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 61240765
3-[4-(3-Ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176195
3-Butan-2-yl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane
CID 65178304
1-(3-Ethoxypropyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 65178412
4-[4-(1-Aminopentan-3-yl)-1,4-diazepan-1-yl]-2-methylbutan-2-ol
CID 79361063
3-(2-Methylpropyl)-1-(3-propoxypropyl)-1,4-diazepane
CID 82946821
3-Butan-2-yl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947180
1-(3-Methoxy-3-methylbutyl)-1,4-diazepane
CID 103016683
1-(3-Methoxy-3-methylbutyl)-3-propan-2-yl-1,4-diazepane
CID 103016685

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 103032982) is 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(CCC(C)(C)OC)CC1.
What is the InChIKey of 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is UVDPLZRJBSTRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-15(7-9-17)19-11-6-10-18(13-14-19)12-8-16(2,3)20-4/h15H,5-14,17H2,1-4H3.
What are the key properties of 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxy-3-methylbutyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 103032982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).