N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C16H29NO2 — CID 107386680

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)OCC(CNC2CC3CCC2(C)C3(C)C)O1
InChIInChI=1S/C16H29NO2/c1-14(2)11-6-7-16(14,5)13(8-11)17-9-12-10-18-15(3,4)19-12/h11-13,17H,6-10H2,1-5H3
InChIKeyOMHXNCRWJJUWQQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.94
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 107386680) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID107386680
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)OCC(CNC2CC3CCC2(C)C3(C)C)O1
InChIInChI=1S/C16H29NO2/c1-14(2)11-6-7-16(14,5)13(8-11)17-9-12-10-18-15(3,4)19-12/h11-13,17H,6-10H2,1-5H3
InChIKeyOMHXNCRWJJUWQQ-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 60689061
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 107386158
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 107386057
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(1S,2R,4R)-1,7,7-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 98119738
(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103905893
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107386326
2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103894846

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 107386680) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)OCC(CNC2CC3CCC2(C)C3(C)C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is OMHXNCRWJJUWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(2)11-6-7-16(14,5)13(8-11)17-9-12-10-18-15(3,4)19-12/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 267.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 107386680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).