2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine

C15H32N4O — CID 64533682

IUPAC2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine
SMILESCC(C)N1CCOC(CN2CCCN(CCN)CC2)C1
InChIInChI=1S/C15H32N4O/c1-14(2)19-10-11-20-15(13-19)12-18-6-3-5-17(7-4-16)8-9-18/h14-15H,3-13,16H2,1-2H3
InChIKeyOHGCHSSMWHRQIN-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine

2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine (PubChem CID 64533682) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine
PubChem CID64533682
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine
SMILESCC(C)N1CCOC(CN2CCCN(CCN)CC2)C1
InChIInChI=1S/C15H32N4O/c1-14(2)19-10-11-20-15(13-19)12-18-6-3-5-17(7-4-16)8-9-18/h14-15H,3-13,16H2,1-2H3
InChIKeyOHGCHSSMWHRQIN-UHFFFAOYSA-N
XLogP0.06
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanamine
CID 64532949
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
8-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78994145
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64534748
1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
CID 120983013
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81458873
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine (CID 64533682) is 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine is CC(C)N1CCOC(CN2CCCN(CCN)CC2)C1.
What is the InChIKey of 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
The InChIKey is OHGCHSSMWHRQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-14(2)19-10-11-20-15(13-19)12-18-6-3-5-17(7-4-16)8-9-18/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine has a molecular weight of 284.45 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 64533682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).