N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide

C16H27N3O2 — CID 170692231

IUPACN'-(1-adamantyl)-N-(3-aminopropyl)propanediamide
SMILESNCCCNC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c17-2-1-3-18-14(20)7-15(21)19-16-8-11-4-12(9-16)6-13(5-11)10-16/h11-13H,1-10,17H2,(H,18,20)(H,19,21)
InChIKeyZYERGYLWTRXLJT-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.93
Rot. Bonds6

About N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide

N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide (PubChem CID 170692231) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(3-aminopropyl)propanediamide
PubChem CID170692231
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN'-(1-adamantyl)-N-(3-aminopropyl)propanediamide
SMILESNCCCNC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c17-2-1-3-18-14(20)7-15(21)19-16-8-11-4-12(9-16)6-13(5-11)10-16/h11-13H,1-10,17H2,(H,18,20)(H,19,21)
InChIKeyZYERGYLWTRXLJT-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N'-(1-adamantyl)propane-1,3-diamine
CID 5032001
N'-[3-(1-adamantylamino)-3-oxopropyl]-N-[3-(dimethylamino)propyl]butanediamide
CID 23252450
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)hexanamide
CID 4687392
1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
CID 63766148
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
CID 38404709
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
1-(1-adamantyl)-3-hexylurea
CID 102308549
2-(1-adamantylamino)-N-butylacetamide
CID 60671078
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide?
The IUPAC name of N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide (CID 170692231) is N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide?
The canonical SMILES for N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide is NCCCNC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide?
The InChIKey is ZYERGYLWTRXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-2-1-3-18-14(20)7-15(21)19-16-8-11-4-12(9-16)6-13(5-11)10-16/h11-13H,1-10,17H2,(H,18,20)(H,19,21).
What are the key properties of N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide?
N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide has a molecular weight of 293.41 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide is sourced from PubChem (CID 170692231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).