3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid

C26H55N5O3 — CID 89258603

IUPAC3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
SMILESCCCCCCCCCCCCCCNC(=O)C(CCCN(CCCN)C(=O)O)NCCCN
InChIInChI=1S/C26H55N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(32)24(29-21-15-18-27)17-14-22-31(26(33)34)23-16-19-28/h24,29H,2-23,27-28H2,1H3,(H,30,32)(H,33,34)
InChIKeyVXEDMPNOFUJZEM-UHFFFAOYSA-N
MW485.76 g/mol
LogP4.22
Rot. Bonds25

About 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid

3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid (PubChem CID 89258603) has the molecular formula C26H55N5O3 and a molecular weight of 485.76 g/mol. Its IUPAC name is 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid.

Molecular Properties

Compound Name3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
PubChem CID89258603
Molecular FormulaC26H55N5O3
Molecular Weight485.76 g/mol
Exact Mass485.43
IUPAC Name3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
SMILESCCCCCCCCCCCCCCNC(=O)C(CCCN(CCCN)C(=O)O)NCCCN
InChIInChI=1S/C26H55N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(32)24(29-21-15-18-27)17-14-22-31(26(33)34)23-16-19-28/h24,29H,2-23,27-28H2,1H3,(H,30,32)(H,33,34)
InChIKeyVXEDMPNOFUJZEM-UHFFFAOYSA-N
XLogP4.22
TPSA133.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.76
LogP ≤ 54.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
CID 89258604
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
5-(3-aminopropylamino)-N-[3-[2-[3-[2,5-bis(3-aminopropylamino)pentanoylamino]propyl-[(Z)-octadec-9-enyl]amino]ethyl-[(Z)-octadec-9-enyl]amino]propyl]-2-(butylamino)pentanamide
CID 90939214
(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid
CID 11141221
N-(3-aminopropyl)-2-(hydroxyamino)heptanamide
CID 142081006
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
CID 134231394
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid?
The IUPAC name of 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid (CID 89258603) is 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid.
What is the SMILES notation for 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid?
The canonical SMILES for 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid is CCCCCCCCCCCCCCNC(=O)C(CCCN(CCCN)C(=O)O)NCCCN.
What is the InChIKey of 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid?
The InChIKey is VXEDMPNOFUJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(32)24(29-21-15-18-27)17-14-22-31(26(33)34)23-16-19-28/h24,29H,2-23,27-28H2,1H3,(H,30,32)(H,33,34).
What are the key properties of 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid?
3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid has a molecular weight of 485.76 g/mol, XLogP of 4.22, 25 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid is sourced from PubChem (CID 89258603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).