2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine

C15H31N3O — CID 65158752

IUPAC2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
SMILESCC(CN)CN1CCCN(CCC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-14(12-16)13-18-7-3-6-17(9-10-18)8-5-15-4-2-11-19-15/h14-15H,2-13,16H2,1H3
InChIKeyWHOBLAKHQQDBKM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds6

About 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine

2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine (PubChem CID 65158752) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
PubChem CID65158752
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
SMILESCC(CN)CN1CCCN(CCC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-14(12-16)13-18-7-3-6-17(9-10-18)8-5-15-4-2-11-19-15/h14-15H,2-13,16H2,1H3
InChIKeyWHOBLAKHQQDBKM-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
3-methyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114502307
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine
CID 81186546
5-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]pentan-1-ol
CID 62227492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine (CID 65158752) is 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine is CC(CN)CN1CCCN(CCC2CCCO2)CC1.
What is the InChIKey of 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
The InChIKey is WHOBLAKHQQDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(12-16)13-18-7-3-6-17(9-10-18)8-5-15-4-2-11-19-15/h14-15H,2-13,16H2,1H3.
What are the key properties of 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine?
2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine is sourced from PubChem (CID 65158752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).