1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine

C14H26N4 — CID 79064224

IUPAC1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCNC(c1cccnc1N)C(C)(CC)N(C)C
InChIInChI=1S/C14H26N4/c1-6-14(3,18(4)5)12(16-7-2)11-9-8-10-17-13(11)15/h8-10,12,16H,6-7H2,1-5H3,(H2,15,17)
InChIKeyYNGSSRXCPNAAAU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds6

About 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine

1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 79064224) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID79064224
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCNC(c1cccnc1N)C(C)(CC)N(C)C
InChIInChI=1S/C14H26N4/c1-6-14(3,18(4)5)12(16-7-2)11-9-8-10-17-13(11)15/h8-10,12,16H,6-7H2,1-5H3,(H2,15,17)
InChIKeyYNGSSRXCPNAAAU-UHFFFAOYSA-N
XLogP2.04
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Anabasine
CID 205586
Tripelennamine
CID 5587
(+-)-Anabasine
CID 2181
2-Amino-4-methylpyridine
CID 1533
Tripelennamine Hydrochloride
CID 9066
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
5-Phenyl-2-pyridinamine
CID 105097
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 79064224) is 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine is CCNC(c1cccnc1N)C(C)(CC)N(C)C.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is YNGSSRXCPNAAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-14(3,18(4)5)12(16-7-2)11-9-8-10-17-13(11)15/h8-10,12,16H,6-7H2,1-5H3,(H2,15,17).
What are the key properties of 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79064224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).