7-amino-N-(3-propan-2-yloxypropyl)heptanamide

C13H28N2O2 — CID 61275030

IUPAC7-amino-N-(3-propan-2-yloxypropyl)heptanamide
SMILESCC(C)OCCCNC(=O)CCCCCCN
InChIInChI=1S/C13H28N2O2/c1-12(2)17-11-7-10-15-13(16)8-5-3-4-6-9-14/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyWMQVDMBXWLKPHG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.83
Rot. Bonds11

About 7-amino-N-(3-propan-2-yloxypropyl)heptanamide

7-amino-N-(3-propan-2-yloxypropyl)heptanamide (PubChem CID 61275030) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-amino-N-(3-propan-2-yloxypropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-propan-2-yloxypropyl)heptanamide
PubChem CID61275030
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name7-amino-N-(3-propan-2-yloxypropyl)heptanamide
SMILESCC(C)OCCCNC(=O)CCCCCCN
InChIInChI=1S/C13H28N2O2/c1-12(2)17-11-7-10-15-13(16)8-5-3-4-6-9-14/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyWMQVDMBXWLKPHG-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
(2S)-6-amino-N-(4-propan-2-yloxybutyl)-2-(6-propan-2-yloxyhexanoylamino)hexanamide
CID 146328608
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-propan-2-yloxypropyl)heptanamide?
The IUPAC name of 7-amino-N-(3-propan-2-yloxypropyl)heptanamide (CID 61275030) is 7-amino-N-(3-propan-2-yloxypropyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-propan-2-yloxypropyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-propan-2-yloxypropyl)heptanamide is CC(C)OCCCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(3-propan-2-yloxypropyl)heptanamide?
The InChIKey is WMQVDMBXWLKPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2)17-11-7-10-15-13(16)8-5-3-4-6-9-14/h12H,3-11,14H2,1-2H3,(H,15,16).
What are the key properties of 7-amino-N-(3-propan-2-yloxypropyl)heptanamide?
7-amino-N-(3-propan-2-yloxypropyl)heptanamide has a molecular weight of 244.38 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-propan-2-yloxypropyl)heptanamide is sourced from PubChem (CID 61275030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).