tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate

C16H33N3O3 — CID 18941878

IUPACtert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)CCCCCN
InChIInChI=1S/C16H33N3O3/c1-16(2,3)22-15(21)19-13-9-5-8-12-18-14(20)10-6-4-7-11-17/h4-13,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyTVJYRJQBJQJQQZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.32
Rot. Bonds11

About tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate

tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate (PubChem CID 18941878) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
PubChem CID18941878
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Nametert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)CCCCCN
InChIInChI=1S/C16H33N3O3/c1-16(2,3)22-15(21)19-13-9-5-8-12-18-14(20)10-6-4-7-11-17/h4-13,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyTVJYRJQBJQJQQZ-UHFFFAOYSA-N
XLogP2.32
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
tert-butyl N-[6-[[6-[[6-[[6-[[18-[(6-amino-6-oxohexyl)amino]-6,12,18-trioxooctadecyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
CID 100969493
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate (CID 18941878) is tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCNC(=O)CCCCCN.
What is the InChIKey of tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate?
The InChIKey is TVJYRJQBJQJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-16(2,3)22-15(21)19-13-9-5-8-12-18-14(20)10-6-4-7-11-17/h4-13,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate?
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate has a molecular weight of 315.46 g/mol, XLogP of 2.32, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate is sourced from PubChem (CID 18941878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).