N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine

C14H29N3 — CID 79171030

IUPACN-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
SMILESCNCCCCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C14H29N3/c1-15-9-4-3-5-10-17-11-8-13-6-7-14(12-17)16(13)2/h13-15H,3-12H2,1-2H3
InChIKeyMGSIKDMFPCHFPB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds6

About N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine

N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine (PubChem CID 79171030) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
PubChem CID79171030
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
SMILESCNCCCCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C14H29N3/c1-15-9-4-3-5-10-17-11-8-13-6-7-14(12-17)16(13)2/h13-15H,3-12H2,1-2H3
InChIKeyMGSIKDMFPCHFPB-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
CID 175905935
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
CID 79175495
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol
CID 79170911
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine?
The IUPAC name of N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine (CID 79171030) is N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine?
The canonical SMILES for N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine is CNCCCCCN1CCC2CCC(C1)N2C.
What is the InChIKey of N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine?
The InChIKey is MGSIKDMFPCHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-15-9-4-3-5-10-17-11-8-13-6-7-14(12-17)16(13)2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine?
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine is sourced from PubChem (CID 79171030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).