4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine

C12H21N3 — CID 106357771

IUPAC4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine
SMILESCC(C)(C)C(CCN)Nc1ccncc1
InChIInChI=1S/C12H21N3/c1-12(2,3)11(4-7-13)15-10-5-8-14-9-6-10/h5-6,8-9,11H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyMJEZJFNEMDZQRY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.26
Rot. Bonds4

About 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine

4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine (PubChem CID 106357771) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine
PubChem CID106357771
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine
SMILESCC(C)(C)C(CCN)Nc1ccncc1
InChIInChI=1S/C12H21N3/c1-12(2,3)11(4-7-13)15-10-5-8-14-9-6-10/h5-6,8-9,11H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyMJEZJFNEMDZQRY-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 126974215
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 65192390
2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
CID 106357820
3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357805
3-N-(1,2,4-benzotriazin-3-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357864
3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357869
2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 65378955
4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
CID 105462116
3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357713
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine?
The IUPAC name of 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine (CID 106357771) is 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine.
What is the SMILES notation for 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine?
The canonical SMILES for 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine is CC(C)(C)C(CCN)Nc1ccncc1.
What is the InChIKey of 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine?
The InChIKey is MJEZJFNEMDZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)11(4-7-13)15-10-5-8-14-9-6-10/h5-6,8-9,11H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine?
4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine is sourced from PubChem (CID 106357771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).