N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine

C14H29NO2 — CID 170573008

IUPACN-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1COC(CC)(CC)O1
InChIInChI=1S/C14H29NO2/c1-4-7-8-10-15-11-9-13-12-16-14(5-2,6-3)17-13/h13,15H,4-12H2,1-3H3
InChIKeyNDGOKISPKCHXFX-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds9

About N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine

N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine (PubChem CID 170573008) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
PubChem CID170573008
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1COC(CC)(CC)O1
InChIInChI=1S/C14H29NO2/c1-4-7-8-10-15-11-9-13-12-16-14(5-2,6-3)17-13/h13,15H,4-12H2,1-3H3
InChIKeyNDGOKISPKCHXFX-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
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

4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
CID 131860944
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
CID 142748309
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
CID 53230731
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2-[(9Z,12Z)-icosa-9,12-dienyl]-2-[(5Z,8Z)-pentadeca-5,8-dienyl]-4-propyl-1,3-dioxolane
CID 134393906
N,N-bis[4-(2,2-dihexyl-1,3-dioxolan-4-yl)butyl]hexan-1-amine
CID 169169928
N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
CID 174322767
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine (CID 170573008) is N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine is CCCCCNCCC1COC(CC)(CC)O1.
What is the InChIKey of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
The InChIKey is NDGOKISPKCHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-8-10-15-11-9-13-12-16-14(5-2,6-3)17-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine?
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 170573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).