2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one

C14H29N3O — CID 61350499

IUPAC2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
SMILESCC(C)N(CCN)C(C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)17(11-8-15)13(3)14(18)16-9-6-4-5-7-10-16/h12-13H,4-11,15H2,1-3H3
InChIKeyRAGIOULVWJYTLB-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one

2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one (PubChem CID 61350499) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
PubChem CID61350499
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
SMILESCC(C)N(CCN)C(C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)17(11-8-15)13(3)14(18)16-9-6-4-5-7-10-16/h12-13H,4-11,15H2,1-3H3
InChIKeyRAGIOULVWJYTLB-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026267
ethyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026818
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 62021785
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one
CID 113476280
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106632109
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one?
The IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one (CID 61350499) is 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one.
What is the SMILES notation for 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one?
The canonical SMILES for 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one is CC(C)N(CCN)C(C)C(=O)N1CCCCCC1.
What is the InChIKey of 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one?
The InChIKey is RAGIOULVWJYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)17(11-8-15)13(3)14(18)16-9-6-4-5-7-10-16/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one?
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one is sourced from PubChem (CID 61350499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).