N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine

C10H21NO2 — CID 131176990

IUPACN-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCC1OCCO1
InChIInChI=1S/C10H21NO2/c1-4-10(3,5-2)11-8-9-12-6-7-13-9/h9,11H,4-8H2,1-3H3
InChIKeyXSPUJJYKEZXSDK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine

N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine (PubChem CID 131176990) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
PubChem CID131176990
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCC1OCCO1
InChIInChI=1S/C10H21NO2/c1-4-10(3,5-2)11-8-9-12-6-7-13-9/h9,11H,4-8H2,1-3H3
InChIKeyXSPUJJYKEZXSDK-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oqexxkbgtyuaep-uhfffaoysa-
CID 12887142
N-(1,3-dioxolan-2-ylmethyl)pentan-3-amine
CID 20307415
N-sec-butyl-N-(1,3-dioxolan-2-ylmethyl)amine
CID 20307426
N-n-hexyl-N-(1,3-dioxolan-2-ylmethyl)amine
CID 20441134
N-n-butyl-N-(1,3-dioxolan-2-ylmethyl)amine
CID 20441140
N-(3,3-diethoxypropyl)-N-(1,3-dioxolan-2-ylmethyl)amine
CID 22766277
N-(1,3-dioxolan-2-ylmethyl)-2-methylpropan-2-amine
CID 60147194
(1-Methyl-1-ethylpropylamino)ethoxyethanol
CID 86739621
3-methyl-N-[2-[1-[1-[2-(3-methylpentan-3-ylamino)ethoxy]ethoxy]ethoxy]ethyl]pentan-3-amine
CID 117833958
N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine
CID 130426583
N-(1,3-dioxolan-2-ylmethyl)-6-methyltridecan-6-amine
CID 146436459
N-[2-[2-(1-methoxyethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 175013035

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine (CID 131176990) is N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine is CCC(C)(CC)NCC1OCCO1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine?
The InChIKey is XSPUJJYKEZXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(3,5-2)11-8-9-12-6-7-13-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine?
N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine is sourced from PubChem (CID 131176990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).