3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate

C26H55N5O3 — CID 89258604

IUPAC3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
SMILESCCCCCCCCCCCCCCNC(=O)C(CCCNC(=O)OCCCN)NCCCN
InChIInChI=1S/C26H55N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(32)24(29-22-15-18-27)17-14-21-31-26(33)34-23-16-19-28/h24,29H,2-23,27-28H2,1H3,(H,30,32)(H,31,33)
InChIKeyQPLBTZKBMVLIKZ-UHFFFAOYSA-N
MW485.76 g/mol
LogP3.97
Rot. Bonds25

About 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate

3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate (PubChem CID 89258604) has the molecular formula C26H55N5O3 and a molecular weight of 485.76 g/mol. Its IUPAC name is 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate.

Molecular Properties

Compound Name3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
PubChem CID89258604
Molecular FormulaC26H55N5O3
Molecular Weight485.76 g/mol
Exact Mass485.43
IUPAC Name3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
SMILESCCCCCCCCCCCCCCNC(=O)C(CCCNC(=O)OCCCN)NCCCN
InChIInChI=1S/C26H55N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-30-25(32)24(29-22-15-18-27)17-14-21-31-26(33)34-23-16-19-28/h24,29H,2-23,27-28H2,1H3,(H,30,32)(H,31,33)
InChIKeyQPLBTZKBMVLIKZ-UHFFFAOYSA-N
XLogP3.97
TPSA131.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.76
LogP ≤ 53.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl N-[(2S)-6-amino-1-(octylamino)-1-oxohexan-2-yl]carbamate
CID 135363859
3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
CID 89258603
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
ethyl 2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603912
ethyl (2S)-2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603854
azane;octyl N-octylcarbamate
CID 175531380
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate?
The IUPAC name of 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate (CID 89258604) is 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate.
What is the SMILES notation for 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate?
The canonical SMILES for 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate is CCCCCCCCCCCCCCNC(=O)C(CCCNC(=O)OCCCN)NCCCN.
What is the InChIKey of 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate?
The InChIKey is QPLBTZKBMVLIKZ-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(29-22-15-18-27)17-14-21-31-26(33)34-23-16-19-28/h24,29H,2-23,27-28H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate?
3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate has a molecular weight of 485.76 g/mol, XLogP of 3.97, 25 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate is sourced from PubChem (CID 89258604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).