N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine

C14H31N3 — CID 64951139

IUPACN-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC1CN(CCCCN(C)C(C)C)CCCN1
InChIInChI=1S/C14H31N3/c1-13(2)16(4)9-5-6-10-17-11-7-8-15-14(3)12-17/h13-15H,5-12H2,1-4H3
InChIKeyOUMKDJFFJQTCLW-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine

N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 64951139) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID64951139
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC1CN(CCCCN(C)C(C)C)CCCN1
InChIInChI=1S/C14H31N3/c1-13(2)16(4)9-5-6-10-17-11-7-8-15-14(3)12-17/h13-15H,5-12H2,1-4H3
InChIKeyOUMKDJFFJQTCLW-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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 N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine (CID 64951139) is N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine is CC1CN(CCCCN(C)C(C)C)CCCN1.
What is the InChIKey of N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is OUMKDJFFJQTCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)16(4)9-5-6-10-17-11-7-8-15-14(3)12-17/h13-15H,5-12H2,1-4H3.
What are the key properties of N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine?
N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64951139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).