N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine

C14H31NO2 — CID 103490806

IUPACN-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCOC(C)COCC
InChIInChI=1S/C14H31NO2/c1-5-7-8-9-13(3)15-10-11-17-14(4)12-16-6-2/h13-15H,5-12H2,1-4H3
InChIKeyOMEDYNNAPMSYHA-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds12

About N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine

N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine (PubChem CID 103490806) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine
PubChem CID103490806
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCOC(C)COCC
InChIInChI=1S/C14H31NO2/c1-5-7-8-9-13(3)15-10-11-17-14(4)12-16-6-2/h13-15H,5-12H2,1-4H3
InChIKeyOMEDYNNAPMSYHA-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.99
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

N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
N-(dicyclopropylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490801
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-(2-octoxyethyl)pentan-2-amine
CID 55196861

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine (CID 103490806) is N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine is CCCCCC(C)NCCOC(C)COCC.
What is the InChIKey of N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine?
The InChIKey is OMEDYNNAPMSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-7-8-9-13(3)15-10-11-17-14(4)12-16-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine?
N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethoxypropan-2-yloxy)ethyl]heptan-2-amine is sourced from PubChem (CID 103490806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).