N-(2-butoxyethyl)-1-ethylazepan-4-amine

C14H30N2O — CID 65073819

IUPACN-(2-butoxyethyl)-1-ethylazepan-4-amine
SMILESCCCCOCCNC1CCCN(CC)CC1
InChIInChI=1S/C14H30N2O/c1-3-5-12-17-13-9-15-14-7-6-10-16(4-2)11-8-14/h14-15H,3-13H2,1-2H3
InChIKeyCZTTUOYYWAXNKB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds8

About N-(2-butoxyethyl)-1-ethylazepan-4-amine

N-(2-butoxyethyl)-1-ethylazepan-4-amine (PubChem CID 65073819) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-ethylazepan-4-amine
PubChem CID65073819
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(2-butoxyethyl)-1-ethylazepan-4-amine
SMILESCCCCOCCNC1CCCN(CC)CC1
InChIInChI=1S/C14H30N2O/c1-3-5-12-17-13-9-15-14-7-6-10-16(4-2)11-8-14/h14-15H,3-13H2,1-2H3
InChIKeyCZTTUOYYWAXNKB-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]azepan-4-amine
CID 65078240
N-[2-(cyclopropylmethoxy)ethyl]-1-ethylpiperidin-4-amine
CID 115718337
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
1-ethyl-N-pent-4-ynylazepan-4-amine
CID 106220583
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
tert-butyl 4-(2-butoxyethylamino)azepane-1-carboxylate
CID 103981761
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
CID 113481126
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2-butoxyethyl)-1-ethylazepan-4-amine (CID 65073819) is N-(2-butoxyethyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-ethylazepan-4-amine is CCCCOCCNC1CCCN(CC)CC1.
What is the InChIKey of N-(2-butoxyethyl)-1-ethylazepan-4-amine?
The InChIKey is CZTTUOYYWAXNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-5-12-17-13-9-15-14-7-6-10-16(4-2)11-8-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-ethylazepan-4-amine?
N-(2-butoxyethyl)-1-ethylazepan-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65073819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).