5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine

C16H25N3 — CID 55055083

IUPAC5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H25N3/c1-6-10-19(11-7-2)15-9-8-14(12-17-15)13-18-16(3,4)5/h6-9,12,18H,1-2,10-11,13H2,3-5H3
InChIKeyCQHAHXZFUBBVLR-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.15
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine

5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine (PubChem CID 55055083) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
PubChem CID55055083
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H25N3/c1-6-10-19(11-7-2)15-9-8-14(12-17-15)13-18-16(3,4)5/h6-9,12,18H,1-2,10-11,13H2,3-5H3
InChIKeyCQHAHXZFUBBVLR-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 55055081
6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
CID 80636417
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80636665
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103340062
N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
(E)-3-[6-[bis(prop-2-enyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633168
5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine (CID 55055083) is 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine is C=CCN(CC=C)c1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine?
The InChIKey is CQHAHXZFUBBVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-10-19(11-7-2)15-9-8-14(12-17-15)13-18-16(3,4)5/h6-9,12,18H,1-2,10-11,13H2,3-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine?
5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 55055083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).