4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine

C24H48N4 — CID 171656903

IUPAC4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine
SMILESCCCC1(CCCCN2CCCN(N)CC2)CCN(CC2(CCC)CC2)CC1
InChIInChI=1S/C24H48N4/c1-3-8-23(10-5-6-15-26-16-7-17-28(25)21-20-26)13-18-27(19-14-23)22-24(9-4-2)11-12-24/h3-22,25H2,1-2H3
InChIKeyUQKRLMHOEODHHA-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.50
Rot. Bonds11

About 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine

4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine (PubChem CID 171656903) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine.

Molecular Properties

Compound Name4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine
PubChem CID171656903
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC Name4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine
SMILESCCCC1(CCCCN2CCCN(N)CC2)CCN(CC2(CCC)CC2)CC1
InChIInChI=1S/C24H48N4/c1-3-8-23(10-5-6-15-26-16-7-17-28(25)21-20-26)13-18-27(19-14-23)22-24(9-4-2)11-12-24/h3-22,25H2,1-2H3
InChIKeyUQKRLMHOEODHHA-UHFFFAOYSA-N
XLogP4.50
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
1-heptylazetidine
CID 134402356
4,4-dimethyl-1-pentylazepane
CID 18723213
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane
CID 171658027
1-butylazetidine;ethane
CID 143628082
7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
1-(2-bromoethyl)-4-pentyl-1,4-diazepane
CID 80668234
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174275793
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63129768
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine?
The IUPAC name of 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine (CID 171656903) is 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine.
What is the SMILES notation for 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine?
The canonical SMILES for 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine is CCCC1(CCCCN2CCCN(N)CC2)CCN(CC2(CCC)CC2)CC1.
What is the InChIKey of 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine?
The InChIKey is UQKRLMHOEODHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4/c1-3-8-23(10-5-6-15-26-16-7-17-28(25)21-20-26)13-18-27(19-14-23)22-24(9-4-2)11-12-24/h3-22,25H2,1-2H3.
What are the key properties of 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine?
4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine has a molecular weight of 392.68 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine is sourced from PubChem (CID 171656903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).