4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide

C14H30N4O — CID 43252445

IUPAC4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
SMILESCC(CN)CN1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-12(10-15)11-17-6-5-7-18(9-8-17)13(19)16-14(2,3)4/h12H,5-11,15H2,1-4H3,(H,16,19)
InChIKeyRCEWGHYURTXISD-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.10
Rot. Bonds3

About 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide

4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide (PubChem CID 43252445) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
PubChem CID43252445
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
SMILESCC(CN)CN1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-12(10-15)11-17-6-5-7-18(9-8-17)13(19)16-14(2,3)4/h12H,5-11,15H2,1-4H3,(H,16,19)
InChIKeyRCEWGHYURTXISD-UHFFFAOYSA-N
XLogP1.10
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide (CID 43252445) is 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide is CC(CN)CN1CCCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
The InChIKey is RCEWGHYURTXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-12(10-15)11-17-6-5-7-18(9-8-17)13(19)16-14(2,3)4/h12H,5-11,15H2,1-4H3,(H,16,19).
What are the key properties of 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 43252445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).