1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine

C15H33N3 — CID 114087088

IUPAC1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine
SMILESCC1CN(C)CCCN1CCC(N)CC(C)(C)C
InChIInChI=1S/C15H33N3/c1-13-12-17(5)8-6-9-18(13)10-7-14(16)11-15(2,3)4/h13-14H,6-12,16H2,1-5H3
InChIKeyKXYUOGSNUIVLSI-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine

1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine (PubChem CID 114087088) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine
PubChem CID114087088
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine
SMILESCC1CN(C)CCCN1CCC(N)CC(C)(C)C
InChIInChI=1S/C15H33N3/c1-13-12-17(5)8-6-9-18(13)10-7-14(16)11-15(2,3)4/h13-14H,6-12,16H2,1-5H3
InChIKeyKXYUOGSNUIVLSI-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
CID 113497212
5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
CID 113497185
2-amino-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64791163
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
4,4-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62950781
3-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)hexan-1-one
CID 114085729
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
(2R)-2-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)-4-methylsulfanylbutan-1-one
CID 114085704
1-[2-(4-bromophenoxy)ethyl]-2,4-dimethyl-1,4-diazepane
CID 114087188
2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol
CID 114087996
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine?
The IUPAC name of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine (CID 114087088) is 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine?
The canonical SMILES for 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine is CC1CN(C)CCCN1CCC(N)CC(C)(C)C.
What is the InChIKey of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine?
The InChIKey is KXYUOGSNUIVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13-12-17(5)8-6-9-18(13)10-7-14(16)11-15(2,3)4/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine?
1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 114087088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).