3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine

C13H29N3O — CID 82948380

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
SMILESCOCCN(C(C)C)C1(CN)CCCN(C)C1
InChIInChI=1S/C13H29N3O/c1-12(2)16(8-9-17-4)13(10-14)6-5-7-15(3)11-13/h12H,5-11,14H2,1-4H3
InChIKeyCBQMDCSRUVVKQT-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds6

About 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine

3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine (PubChem CID 82948380) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
PubChem CID82948380
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
SMILESCOCCN(C(C)C)C1(CN)CCCN(C)C1
InChIInChI=1S/C13H29N3O/c1-12(2)16(8-9-17-4)13(10-14)6-5-7-15(3)11-13/h12H,5-11,14H2,1-4H3
InChIKeyCBQMDCSRUVVKQT-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine
CID 82948086
3-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-yloxolan-3-amine
CID 82948464
3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 62975286
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
CID 65078077
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,1-dioxothian-3-amine
CID 63922458
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-methylpiperidin-4-amine
CID 61448644
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 54985469
8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
CID 114818099

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine (CID 82948380) is 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine is COCCN(C(C)C)C1(CN)CCCN(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine?
The InChIKey is CBQMDCSRUVVKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2)16(8-9-17-4)13(10-14)6-5-7-15(3)11-13/h12H,5-11,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 82948380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).