3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine

C17H30N2 — CID 71203351

IUPAC3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine
SMILESCC(C)C(C)(C)CC(C)(C)C(CN)c1ccccn1
InChIInChI=1S/C17H30N2/c1-13(2)16(3,4)12-17(5,6)14(11-18)15-9-7-8-10-19-15/h7-10,13-14H,11-12,18H2,1-6H3
InChIKeyKSARIYUVYQXPOI-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.22
Rot. Bonds6

About 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine

3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine (PubChem CID 71203351) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine.

Molecular Properties

Compound Name3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine
PubChem CID71203351
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine
SMILESCC(C)C(C)(C)CC(C)(C)C(CN)c1ccccn1
InChIInChI=1S/C17H30N2/c1-13(2)16(3,4)12-17(5,6)14(11-18)15-9-7-8-10-19-15/h7-10,13-14H,11-12,18H2,1-6H3
InChIKeyKSARIYUVYQXPOI-UHFFFAOYSA-N
XLogP4.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
CID 71203343
2-pyridin-2-ylpropan-1-amine
CID 21481533
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
4-methyl-5-pyridin-2-ylhexane-1,4-diamine
CID 91000571
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
2-(2,2,3-trimethylbutoxy)pyridine
CID 59019418
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
2-(3,3,4,4-tetramethylpentan-2-yl)pyridine
CID 146411228
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960292

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine?
The IUPAC name of 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine (CID 71203351) is 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine.
What is the SMILES notation for 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine?
The canonical SMILES for 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine is CC(C)C(C)(C)CC(C)(C)C(CN)c1ccccn1.
What is the InChIKey of 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine?
The InChIKey is KSARIYUVYQXPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)16(3,4)12-17(5,6)14(11-18)15-9-7-8-10-19-15/h7-10,13-14H,11-12,18H2,1-6H3.
What are the key properties of 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine?
3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine is sourced from PubChem (CID 71203351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).