butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C10H23N5 — CID 20569147

IUPACbutan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3.CCCCN
InChIInChI=1S/C6H12N4.C4H11N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-3-4-5/h1-6H2;2-5H2,1H3
InChIKeyBGRFJWZEDNLAMZ-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.27
Rot. Bonds2

About butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 20569147) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Namebutan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID20569147
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Namebutan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3.CCCCN
InChIInChI=1S/C6H12N4.C4H11N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-3-4-5/h1-6H2;2-5H2,1H3
InChIKeyBGRFJWZEDNLAMZ-UHFFFAOYSA-N
XLogP-0.27
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CID 20569147) is butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is C1N2CN3CN1CN(C2)C3.CCCCN.
What is the InChIKey of butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is BGRFJWZEDNLAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.C4H11N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-3-4-5/h1-6H2;2-5H2,1H3.
What are the key properties of butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 213.33 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 20569147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).