3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine

C15H33N3 — CID 75427966

IUPAC3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine
SMILESCC(NCCCN1CCCN(C)CC1)C(C)(C)C
InChIInChI=1S/C15H33N3/c1-14(15(2,3)4)16-8-6-10-18-11-7-9-17(5)12-13-18/h14,16H,6-13H2,1-5H3
InChIKeyJAVXZACNEAHNIN-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds5

About 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine

3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine (PubChem CID 75427966) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine
PubChem CID75427966
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine
SMILESCC(NCCCN1CCCN(C)CC1)C(C)(C)C
InChIInChI=1S/C15H33N3/c1-14(15(2,3)4)16-8-6-10-18-11-7-9-17(5)12-13-18/h14,16H,6-13H2,1-5H3
InChIKeyJAVXZACNEAHNIN-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine (CID 75427966) is 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine is CC(NCCCN1CCCN(C)CC1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine?
The InChIKey is JAVXZACNEAHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14(15(2,3)4)16-8-6-10-18-11-7-9-17(5)12-13-18/h14,16H,6-13H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine?
3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine is sourced from PubChem (CID 75427966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).