7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine

C13H26N2 — CID 106315033

IUPAC7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
SMILESCC1=CCCN(CCCCCCCN)C1
InChIInChI=1S/C13H26N2/c1-13-8-7-11-15(12-13)10-6-4-2-3-5-9-14/h8H,2-7,9-12,14H2,1H3
InChIKeyUZLRMHUQWXGZRW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.55
Rot. Bonds7

About 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine

7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine (PubChem CID 106315033) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
PubChem CID106315033
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
SMILESCC1=CCCN(CCCCCCCN)C1
InChIInChI=1S/C13H26N2/c1-13-8-7-11-15(12-13)10-6-4-2-3-5-9-14/h8H,2-7,9-12,14H2,1H3
InChIKeyUZLRMHUQWXGZRW-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
CID 114172712
N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 106316846
6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313917
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopropan-1-amine
CID 131059396
[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314902
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952
[2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314928
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
CID 106314909
6-(azetidin-1-yl)hexan-1-amine
CID 18952651

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine?
The IUPAC name of 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine (CID 106315033) is 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine?
The canonical SMILES for 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine is CC1=CCCN(CCCCCCCN)C1.
What is the InChIKey of 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine?
The InChIKey is UZLRMHUQWXGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13-8-7-11-15(12-13)10-6-4-2-3-5-9-14/h8H,2-7,9-12,14H2,1H3.
What are the key properties of 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine?
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine is sourced from PubChem (CID 106315033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).