N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine

C10H20N2 — CID 61309746

IUPACN'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
SMILESNCCCNC1CC2CCC1C2
InChIInChI=1S/C10H20N2/c11-4-1-5-12-10-7-8-2-3-9(10)6-8/h8-10,12H,1-7,11H2
InChIKeyNBUOEIMVUSRUBB-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.11
Rot. Bonds4

About N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine

N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine (PubChem CID 61309746) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
PubChem CID61309746
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
SMILESNCCCNC1CC2CCC1C2
InChIInChI=1S/C10H20N2/c11-4-1-5-12-10-7-8-2-3-9(10)6-8/h8-10,12H,1-7,11H2
InChIKeyNBUOEIMVUSRUBB-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
N'-(2-bicyclo[2.2.2]octanyl)ethane-1,2-diamine
CID 130691244
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine (CID 61309746) is N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine is NCCCNC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
The InChIKey is NBUOEIMVUSRUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-4-1-5-12-10-7-8-2-3-9(10)6-8/h8-10,12H,1-7,11H2.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine is sourced from PubChem (CID 61309746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).