2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide

C34H71N3 — CID 87914525

IUPAC2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide
SMILESCCCCCCCCCCCCCCCC(N)/C(=N/CCCCCCCCCCCCCC)NC(C)C
InChIInChI=1S/C34H71N3/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-33(35)34(37-32(3)4)36-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h32-33H,5-31,35H2,1-4H3,(H,36,37)
InChIKeyPOZCSHAZDCGAHW-UHFFFAOYSA-N
MW521.96 g/mol
LogP10.89
Rot. Bonds29

About 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide

2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide (PubChem CID 87914525) has the molecular formula C34H71N3 and a molecular weight of 521.96 g/mol. Its IUPAC name is 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide.

Molecular Properties

Compound Name2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide
PubChem CID87914525
Molecular FormulaC34H71N3
Molecular Weight521.96 g/mol
Exact Mass521.56
IUPAC Name2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide
SMILESCCCCCCCCCCCCCCCC(N)/C(=N/CCCCCCCCCCCCCC)NC(C)C
InChIInChI=1S/C34H71N3/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-33(35)34(37-32(3)4)36-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h32-33H,5-31,35H2,1-4H3,(H,36,37)
InChIKeyPOZCSHAZDCGAHW-UHFFFAOYSA-N
XLogP10.89
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 510.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-nonyl-1-propan-2-ylguanidine
CID 111034727
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
CID 58871564
2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid
CID 154955000
zinc (2S)-2-amino-6-(1-oxidohexadecylideneamino)hexanoate
CID 6454261
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
3-aminoicosan-2-ol
CID 19964089
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
amino 2-aminododecanoate
CID 174504612
(5S)-2,3,5-triamino-8-(diaminomethylideneamino)-N-hexacosan-13-yl-4-oxooctanamide
CID 87108684
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide?
The IUPAC name of 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide (CID 87914525) is 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide.
What is the SMILES notation for 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide?
The canonical SMILES for 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide is CCCCCCCCCCCCCCCC(N)/C(=N/CCCCCCCCCCCCCC)NC(C)C.
What is the InChIKey of 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide?
The InChIKey is POZCSHAZDCGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71N3/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-33(35)34(37-32(3)4)36-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h32-33H,5-31,35H2,1-4H3,(H,36,37).
What are the key properties of 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide?
2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide has a molecular weight of 521.96 g/mol, XLogP of 10.89, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide is sourced from PubChem (CID 87914525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).