tert-butyl N-[(5R)-5-aminoheptyl]carbamate

C12H26N2O2 — CID 163765296

IUPACtert-butyl N-[(5R)-5-aminoheptyl]carbamate
SMILESCC[C@@H](N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-10(13)8-6-7-9-14-11(15)16-12(2,3)4/h10H,5-9,13H2,1-4H3,(H,14,15)/t10-/m1/s1
InChIKeyMBSZNIZGIGVCRN-SNVBAGLBSA-N
MW230.35 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[(5R)-5-aminoheptyl]carbamate

tert-butyl N-[(5R)-5-aminoheptyl]carbamate (PubChem CID 163765296) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[(5R)-5-aminoheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5R)-5-aminoheptyl]carbamate
PubChem CID163765296
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[(5R)-5-aminoheptyl]carbamate
SMILESCC[C@@H](N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-10(13)8-6-7-9-14-11(15)16-12(2,3)4/h10H,5-9,13H2,1-4H3,(H,14,15)/t10-/m1/s1
InChIKeyMBSZNIZGIGVCRN-SNVBAGLBSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652
tert-butyl N-[1-[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 123364045
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5R)-5-aminoheptyl]carbamate?
The IUPAC name of tert-butyl N-[(5R)-5-aminoheptyl]carbamate (CID 163765296) is tert-butyl N-[(5R)-5-aminoheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5R)-5-aminoheptyl]carbamate?
The canonical SMILES for tert-butyl N-[(5R)-5-aminoheptyl]carbamate is CC[C@@H](N)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5R)-5-aminoheptyl]carbamate?
The InChIKey is MBSZNIZGIGVCRN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(13)8-6-7-9-14-11(15)16-12(2,3)4/h10H,5-9,13H2,1-4H3,(H,14,15)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(5R)-5-aminoheptyl]carbamate?
tert-butyl N-[(5R)-5-aminoheptyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5R)-5-aminoheptyl]carbamate is sourced from PubChem (CID 163765296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).