N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine

C13H28N2 — CID 146215533

IUPACN,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
SMILESCCCN1CCCC(CN(C)C)CCC1
InChIInChI=1S/C13H28N2/c1-4-9-15-10-5-7-13(8-6-11-15)12-14(2)3/h13H,4-12H2,1-3H3
InChIKeyILXKHHITAUJDOH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds4

About N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine

N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine (PubChem CID 146215533) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
PubChem CID146215533
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
SMILESCCCN1CCCC(CN(C)C)CCC1
InChIInChI=1S/C13H28N2/c1-4-9-15-10-5-7-13(8-6-11-15)12-14(2)3/h13H,4-12H2,1-3H3
InChIKeyILXKHHITAUJDOH-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
CID 121402940
1-propylpyrrolidine;hydrobromide
CID 173024709
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65077334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine (CID 146215533) is N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine is CCCN1CCCC(CN(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine?
The InChIKey is ILXKHHITAUJDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-9-15-10-5-7-13(8-6-11-15)12-14(2)3/h13H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine?
N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine is sourced from PubChem (CID 146215533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).