tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate

C17H40N6O2 — CID 59798974

IUPACtert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(CN(CCN)CCN)NCCN
InChIInChI=1S/C17H40N6O2/c1-17(2,3)25-16(24)22-10-5-4-6-15(21-11-7-18)14-23(12-8-19)13-9-20/h15,21H,4-14,18-20H2,1-3H3,(H,22,24)
InChIKeyFMPVJGOCMBZFSU-UHFFFAOYSA-N
MW360.55 g/mol
LogP-0.18
Rot. Bonds14

About tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate

tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate (PubChem CID 59798974) has the molecular formula C17H40N6O2 and a molecular weight of 360.55 g/mol. Its IUPAC name is tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate
PubChem CID59798974
Molecular FormulaC17H40N6O2
Molecular Weight360.55 g/mol
Exact Mass360.32
IUPAC Nametert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(CN(CCN)CCN)NCCN
InChIInChI=1S/C17H40N6O2/c1-17(2,3)25-16(24)22-10-5-4-6-15(21-11-7-18)14-23(12-8-19)13-9-20/h15,21H,4-14,18-20H2,1-3H3,(H,22,24)
InChIKeyFMPVJGOCMBZFSU-UHFFFAOYSA-N
XLogP-0.18
TPSA131.66 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
tert-butyl N-[6-[bis[2-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]ethyl]amino]hexyl]carbamate
CID 59987238
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
2-bromoacetic acid;tert-butyl N-(6-aminohexyl)carbamate
CID 87525773
tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate (CID 59798974) is tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate is CC(C)(C)OC(=O)NCCCCC(CN(CCN)CCN)NCCN.
What is the InChIKey of tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate?
The InChIKey is FMPVJGOCMBZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N6O2/c1-17(2,3)25-16(24)22-10-5-4-6-15(21-11-7-18)14-23(12-8-19)13-9-20/h15,21H,4-14,18-20H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate?
tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate has a molecular weight of 360.55 g/mol, XLogP of -0.18, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-aminoethylamino)-6-[bis(2-aminoethyl)amino]hexyl]carbamate is sourced from PubChem (CID 59798974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).