(2H)iodane;N-propylbutan-2-amine

C7H18IN — CID 160782338

IUPAC(2H)iodane;N-propylbutan-2-amine
SMILESCCCNC(C)CC.[2H]I
InChIInChI=1S/C7H17N.HI/c1-4-6-8-7(3)5-2;/h7-8H,4-6H2,1-3H3;1H/i/hD
InChIKeySASYAFOOYRPJRD-DYCDLGHISA-N
MW244.14 g/mol
LogP2.40
Rot. Bonds4

About (2H)iodane;N-propylbutan-2-amine

(2H)iodane;N-propylbutan-2-amine (PubChem CID 160782338) has the molecular formula C7H18IN and a molecular weight of 244.14 g/mol. Its IUPAC name is (2H)iodane;N-propylbutan-2-amine.

Molecular Properties

Compound Name(2H)iodane;N-propylbutan-2-amine
PubChem CID160782338
Molecular FormulaC7H18IN
Molecular Weight244.14 g/mol
Exact Mass244.05
IUPAC Name(2H)iodane;N-propylbutan-2-amine
SMILESCCCNC(C)CC.[2H]I
InChIInChI=1S/C7H17N.HI/c1-4-6-8-7(3)5-2;/h7-8H,4-6H2,1-3H3;1H/i/hD
InChIKeySASYAFOOYRPJRD-DYCDLGHISA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
CID 172753617
CID 172753617
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
N'-butan-2-yl-N-ethylethane-1,2-diamine
CID 44630785
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252

Frequently Asked Questions

What is the IUPAC name of (2H)iodane;N-propylbutan-2-amine?
The IUPAC name of (2H)iodane;N-propylbutan-2-amine (CID 160782338) is (2H)iodane;N-propylbutan-2-amine.
What is the SMILES notation for (2H)iodane;N-propylbutan-2-amine?
The canonical SMILES for (2H)iodane;N-propylbutan-2-amine is CCCNC(C)CC.[2H]I.
What is the InChIKey of (2H)iodane;N-propylbutan-2-amine?
The InChIKey is SASYAFOOYRPJRD-DYCDLGHISA-N. The full InChI is InChI=1S/C7H17N.HI/c1-4-6-8-7(3)5-2;/h7-8H,4-6H2,1-3H3;1H/i/hD.
What are the key properties of (2H)iodane;N-propylbutan-2-amine?
(2H)iodane;N-propylbutan-2-amine has a molecular weight of 244.14 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2H)iodane;N-propylbutan-2-amine is sourced from PubChem (CID 160782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).