3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine

C16H26N2O — CID 103561785

IUPAC3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCC(C)Oc1ncccc1CNC1CC(C(C)C)C1
InChIInChI=1S/C16H26N2O/c1-11(2)14-8-15(9-14)18-10-13-6-5-7-17-16(13)19-12(3)4/h5-7,11-12,14-15,18H,8-10H2,1-4H3
InChIKeyPTBKIOXCUMMDKH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.39
Rot. Bonds6

About 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine

3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 103561785) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID103561785
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCC(C)Oc1ncccc1CNC1CC(C(C)C)C1
InChIInChI=1S/C16H26N2O/c1-11(2)14-8-15(9-14)18-10-13-6-5-7-17-16(13)19-12(3)4/h5-7,11-12,14-15,18H,8-10H2,1-4H3
InChIKeyPTBKIOXCUMMDKH-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
CID 79950310
5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine
CID 79958638
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 61375350
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile
CID 62742241

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine (CID 103561785) is 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine is CC(C)Oc1ncccc1CNC1CC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is PTBKIOXCUMMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)14-8-15(9-14)18-10-13-6-5-7-17-16(13)19-12(3)4/h5-7,11-12,14-15,18H,8-10H2,1-4H3.
What are the key properties of 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine?
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103561785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).